[(4S)-4-(1,3-benzothiazol-2-yl)spiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C20H17N5O2S — CID 169167193

IUPAC[(4S)-4-(1,3-benzothiazol-2-yl)spiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CC2(CC2)c2nc[nH]c2[C@H]1c1nc2ccccc2s1
InChIInChI=1S/C20H17N5O2S/c1-11-16(27-10-23-11)19(26)25-8-20(6-7-20)17-14(21-9-22-17)15(25)18-24-12-4-2-3-5-13(12)28-18/h2-5,9-10,15H,6-8H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyJFYCYPOTPWZYJS-HNNXBMFYSA-N
MW391.46 g/mol
LogP3.59
Rot. Bonds2

About [(4S)-4-(1,3-benzothiazol-2-yl)spiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[(4S)-4-(1,3-benzothiazol-2-yl)spiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 169167193) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is [(4S)-4-(1,3-benzothiazol-2-yl)spiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(4S)-4-(1,3-benzothiazol-2-yl)spiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID169167193
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name[(4S)-4-(1,3-benzothiazol-2-yl)spiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CC2(CC2)c2nc[nH]c2[C@H]1c1nc2ccccc2s1
InChIInChI=1S/C20H17N5O2S/c1-11-16(27-10-23-11)19(26)25-8-20(6-7-20)17-14(21-9-22-17)15(25)18-24-12-4-2-3-5-13(12)28-18/h2-5,9-10,15H,6-8H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyJFYCYPOTPWZYJS-HNNXBMFYSA-N
XLogP3.59
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methyl-1,3-oxazol-5-yl)-(4-pyrazolo[1,5-a]pyridin-2-ylspiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl)methanone
CID 175961595
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 176763678
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-hydroxycyclopropyl)-1,3-oxazol-5-yl]methanone
CID 169167473
[(4S)-4-(4-fluoro-1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-pyridin-2-yl-1,3-oxazol-5-yl)methanone
CID 169167026
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone
CID 176763626
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2,2-difluorocyclopropyl)methanone
CID 169167695
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methanone
CID 169167068
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-cyclopropylethyl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 169167537
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
CID 169167043
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 176763629
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-bromo-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
CID 169167434
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-phenyl-1,3-thiazol-2-yl)methanone
CID 169167470

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(1,3-benzothiazol-2-yl)spiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(4S)-4-(1,3-benzothiazol-2-yl)spiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 169167193) is [(4S)-4-(1,3-benzothiazol-2-yl)spiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(4S)-4-(1,3-benzothiazol-2-yl)spiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(4S)-4-(1,3-benzothiazol-2-yl)spiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1CC2(CC2)c2nc[nH]c2[C@H]1c1nc2ccccc2s1.
What is the InChIKey of [(4S)-4-(1,3-benzothiazol-2-yl)spiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is JFYCYPOTPWZYJS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-11-16(27-10-23-11)19(26)25-8-20(6-7-20)17-14(21-9-22-17)15(25)18-24-12-4-2-3-5-13(12)28-18/h2-5,9-10,15H,6-8H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of [(4S)-4-(1,3-benzothiazol-2-yl)spiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[(4S)-4-(1,3-benzothiazol-2-yl)spiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 391.46 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(1,3-benzothiazol-2-yl)spiro[4,6-dihydro-3H-imidazo[4,5-c]pyridine-7,1'-cyclopropane]-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 169167193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).