1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea

C14H18N4O2S — CID 97305979

IUPAC1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1cnc([C@@H](C)CNC(=O)Nc2c[nH]c(=O)c(C)c2)s1
InChIInChI=1S/C14H18N4O2S/c1-8-4-11(7-15-12(8)19)18-14(20)17-5-9(2)13-16-6-10(3)21-13/h4,6-7,9H,5H2,1-3H3,(H,15,19)(H2,17,18,20)/t9-/m0/s1
InChIKeyBMTNPPDSAIPAAB-VIFPVBQESA-N
MW306.39 g/mol
LogP2.37
Rot. Bonds4

About 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea

1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 97305979) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID97305979
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCc1cnc([C@@H](C)CNC(=O)Nc2c[nH]c(=O)c(C)c2)s1
InChIInChI=1S/C14H18N4O2S/c1-8-4-11(7-15-12(8)19)18-14(20)17-5-9(2)13-16-6-10(3)21-13/h4,6-7,9H,5H2,1-3H3,(H,15,19)(H2,17,18,20)/t9-/m0/s1
InChIKeyBMTNPPDSAIPAAB-VIFPVBQESA-N
XLogP2.37
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea (CID 97305979) is 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea is Cc1cnc([C@@H](C)CNC(=O)Nc2c[nH]c(=O)c(C)c2)s1.
What is the InChIKey of 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is BMTNPPDSAIPAAB-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-8-4-11(7-15-12(8)19)18-14(20)17-5-9(2)13-16-6-10(3)21-13/h4,6-7,9H,5H2,1-3H3,(H,15,19)(H2,17,18,20)/t9-/m0/s1.
What are the key properties of 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea?
1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 306.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 97305979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).