1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea

C17H25N5OS — CID 95598147

IUPAC1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea
SMILESCC[C@H](NC(=O)NCCc1cn2c(n1)CCCC2)c1nc(C)cs1
InChIInChI=1S/C17H25N5OS/c1-3-14(16-19-12(2)11-24-16)21-17(23)18-8-7-13-10-22-9-5-4-6-15(22)20-13/h10-11,14H,3-9H2,1-2H3,(H2,18,21,23)/t14-/m0/s1
InChIKeyXENLHJCVOMAKAK-AWEZNQCLSA-N
MW347.49 g/mol
LogP2.98
Rot. Bonds6

About 1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea

1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea (PubChem CID 95598147) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea
PubChem CID95598147
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea
SMILESCC[C@H](NC(=O)NCCc1cn2c(n1)CCCC2)c1nc(C)cs1
InChIInChI=1S/C17H25N5OS/c1-3-14(16-19-12(2)11-24-16)21-17(23)18-8-7-13-10-22-9-5-4-6-15(22)20-13/h10-11,14H,3-9H2,1-2H3,(H2,18,21,23)/t14-/m0/s1
InChIKeyXENLHJCVOMAKAK-AWEZNQCLSA-N
XLogP2.98
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea?
The IUPAC name of 1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea (CID 95598147) is 1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea?
The canonical SMILES for 1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea is CC[C@H](NC(=O)NCCc1cn2c(n1)CCCC2)c1nc(C)cs1.
What is the InChIKey of 1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea?
The InChIKey is XENLHJCVOMAKAK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-3-14(16-19-12(2)11-24-16)21-17(23)18-8-7-13-10-22-9-5-4-6-15(22)20-13/h10-11,14H,3-9H2,1-2H3,(H2,18,21,23)/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea?
1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea has a molecular weight of 347.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea is sourced from PubChem (CID 95598147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).