1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea

C16H20N4OS — CID 108784317

IUPAC1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
SMILESO=C(NCc1csc(-c2ccccn2)n1)NC1CCCCC1
InChIInChI=1S/C16H20N4OS/c21-16(20-12-6-2-1-3-7-12)18-10-13-11-22-15(19-13)14-8-4-5-9-17-14/h4-5,8-9,11-12H,1-3,6-7,10H2,(H2,18,20,21)
InChIKeyXPENZQDBLPYLRH-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.34
Rot. Bonds4

About 1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea

1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 108784317) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
PubChem CID108784317
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
SMILESO=C(NCc1csc(-c2ccccn2)n1)NC1CCCCC1
InChIInChI=1S/C16H20N4OS/c21-16(20-12-6-2-1-3-7-12)18-10-13-11-22-15(19-13)14-8-4-5-9-17-14/h4-5,8-9,11-12H,1-3,6-7,10H2,(H2,18,20,21)
InChIKeyXPENZQDBLPYLRH-UHFFFAOYSA-N
XLogP3.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17449429
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide
CID 108748806
1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425385
1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-cyclopentylurea
CID 110747812
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108748929
N-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647283
N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110627595
1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine
CID 43778614
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108748809
[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]cyclohexyl]methanol
CID 62521004
1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 115768471

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea (CID 108784317) is 1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea is O=C(NCc1csc(-c2ccccn2)n1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is XPENZQDBLPYLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c21-16(20-12-6-2-1-3-7-12)18-10-13-11-22-15(19-13)14-8-4-5-9-17-14/h4-5,8-9,11-12H,1-3,6-7,10H2,(H2,18,20,21).
What are the key properties of 1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea?
1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 316.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 108784317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).