1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea

C16H22N4OS — CID 71989931

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea
SMILESCc1nc(CNC(=O)NC(c2ccccn2)C(C)C)sc1C
InChIInChI=1S/C16H22N4OS/c1-10(2)15(13-7-5-6-8-17-13)20-16(21)18-9-14-19-11(3)12(4)22-14/h5-8,10,15H,9H2,1-4H3,(H2,18,20,21)
InChIKeyNTOUQNCZAZTYSP-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.35
Rot. Bonds5

About 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea (PubChem CID 71989931) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea
PubChem CID71989931
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea
SMILESCc1nc(CNC(=O)NC(c2ccccn2)C(C)C)sc1C
InChIInChI=1S/C16H22N4OS/c1-10(2)15(13-7-5-6-8-17-13)20-16(21)18-9-14-19-11(3)12(4)22-14/h5-8,10,15H,9H2,1-4H3,(H2,18,20,21)
InChIKeyNTOUQNCZAZTYSP-UHFFFAOYSA-N
XLogP3.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea with MolForge

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1-pyridin-2-ylethyl)butanediamide
CID 46980717
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-pyrazin-2-ylurea
CID 110492290
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111509364
phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739115
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110388696
3,5-dimethyl-N-[2-[[(1S)-2-methyl-1-pyridin-2-ylpropyl]amino]-2-oxoethyl]benzamide
CID 95981391
6-(aminomethyl)-2-methyl-N-(2-methyl-1-pyridin-2-ylpropyl)pyridine-3-carboxamide;dihydrochloride
CID 86814402
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 71990172
4-[[(4,5-dimethyl-1,3-thiazol-2-yl)methylcarbamoylamino]methyl]benzoic acid
CID 122004521
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122065703
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(5-ethyl-1,3-thiazol-2-yl)urea
CID 154840949

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea (CID 71989931) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea is Cc1nc(CNC(=O)NC(c2ccccn2)C(C)C)sc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea?
The InChIKey is NTOUQNCZAZTYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-10(2)15(13-7-5-6-8-17-13)20-16(21)18-9-14-19-11(3)12(4)22-14/h5-8,10,15H,9H2,1-4H3,(H2,18,20,21).
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea has a molecular weight of 318.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(2-methyl-1-pyridin-2-ylpropyl)urea is sourced from PubChem (CID 71989931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).