2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole

C19H19N5S2 — CID 97280397

IUPAC2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole
SMILESc1ccc2sc(N3CCC[C@@H](c4nccn4Cc4cscn4)C3)nc2c1
InChIInChI=1S/C19H19N5S2/c1-2-6-17-16(5-1)22-19(26-17)24-8-3-4-14(10-24)18-20-7-9-23(18)11-15-12-25-13-21-15/h1-2,5-7,9,12-14H,3-4,8,10-11H2/t14-/m1/s1
InChIKeyMCIILMNICAWGQT-CQSZACIVSA-N
MW381.53 g/mol
LogP4.38
Rot. Bonds4

About 2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole

2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole (PubChem CID 97280397) has the molecular formula C19H19N5S2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole
PubChem CID97280397
Molecular FormulaC19H19N5S2
Molecular Weight381.53 g/mol
Exact Mass381.11
IUPAC Name2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole
SMILESc1ccc2sc(N3CCC[C@@H](c4nccn4Cc4cscn4)C3)nc2c1
InChIInChI=1S/C19H19N5S2/c1-2-6-17-16(5-1)22-19(26-17)24-8-3-4-14(10-24)18-20-7-9-23(18)11-15-12-25-13-21-15/h1-2,5-7,9,12-14H,3-4,8,10-11H2/t14-/m1/s1
InChIKeyMCIILMNICAWGQT-CQSZACIVSA-N
XLogP4.38
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole with MolForge

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Related Compounds

4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97282493
4-[[2-[(3S)-1-pyridin-4-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97202045
2-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
CID 97187298
4-[[2-[(3R)-1-(5-methyl-2-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97284684
4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 72901239
4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97280833
2-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]-1,3-benzothiazole
CID 133276233
2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 97202523
2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72905841
4-[[2-[1-(2-phenoxyethyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 72890911
4-[[2-[1-(3-methoxypyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 72861840
N,N-dimethyl-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrazin-2-amine
CID 72893943

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole (CID 97280397) is 2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole is c1ccc2sc(N3CCC[C@@H](c4nccn4Cc4cscn4)C3)nc2c1.
What is the InChIKey of 2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole?
The InChIKey is MCIILMNICAWGQT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N5S2/c1-2-6-17-16(5-1)22-19(26-17)24-8-3-4-14(10-24)18-20-7-9-23(18)11-15-12-25-13-21-15/h1-2,5-7,9,12-14H,3-4,8,10-11H2/t14-/m1/s1.
What are the key properties of 2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole?
2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole has a molecular weight of 381.53 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 97280397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).