1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea

C17H24N4O2S — CID 97085294

IUPAC1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
SMILESO=C(NCc1cn2ccsc2n1)N[C@H]1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H24N4O2S/c22-15(18-11-14-12-21-7-9-24-16(21)20-14)19-13-4-8-23-17(10-13)5-2-1-3-6-17/h7,9,12-13H,1-6,8,10-11H2,(H2,18,19,22)/t13-/m0/s1
InChIKeyWFRAQBYJWFEHDU-ZDUSSCGKSA-N
MW348.47 g/mol
LogP3.08
Rot. Bonds3

About 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea (PubChem CID 97085294) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea.

Molecular Properties

Compound Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
PubChem CID97085294
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
SMILESO=C(NCc1cn2ccsc2n1)N[C@H]1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H24N4O2S/c22-15(18-11-14-12-21-7-9-24-16(21)20-14)19-13-4-8-23-17(10-13)5-2-1-3-6-17/h7,9,12-13H,1-6,8,10-11H2,(H2,18,19,22)/t13-/m0/s1
InChIKeyWFRAQBYJWFEHDU-ZDUSSCGKSA-N
XLogP3.08
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-oxaspiro[4.5]decan-3-yl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70710978
1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea
CID 110661647
1-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 97306075
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylcyclohexan-1-amine
CID 115331589
1-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-3-(3-phenylprop-2-ynyl)urea
CID 97235497
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235599
1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235596
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332722
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 115334326
1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235565
1-[(2-nitrophenyl)methyl]-3-[(9S)-6-oxaspiro[4.5]decan-9-yl]urea
CID 124611037
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)cyclopentyl]methanol
CID 115331615

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea?
The IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea (CID 97085294) is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea.
What is the SMILES notation for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea?
The canonical SMILES for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea is O=C(NCc1cn2ccsc2n1)N[C@H]1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea?
The InChIKey is WFRAQBYJWFEHDU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O2S/c22-15(18-11-14-12-21-7-9-24-16(21)20-14)19-13-4-8-23-17(10-13)5-2-1-3-6-17/h7,9,12-13H,1-6,8,10-11H2,(H2,18,19,22)/t13-/m0/s1.
What are the key properties of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea?
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea has a molecular weight of 348.47 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[(4S)-1-oxaspiro[5.5]undecan-4-yl]urea is sourced from PubChem (CID 97085294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).