1-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1H-pyridin-3-yl)urea

C14H18N4O2S — CID 72852454

IUPAC1-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1H-pyridin-3-yl)urea
SMILESCc1nc(CCCNC(=O)Nc2ccc[nH]c2=O)sc1C
InChIInChI=1S/C14H18N4O2S/c1-9-10(2)21-12(17-9)6-4-8-16-14(20)18-11-5-3-7-15-13(11)19/h3,5,7H,4,6,8H2,1-2H3,(H,15,19)(H2,16,18,20)
InChIKeyCWSBEMMCDPJLJK-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.20
Rot. Bonds5

About 1-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1H-pyridin-3-yl)urea

1-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1H-pyridin-3-yl)urea (PubChem CID 72852454) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1H-pyridin-3-yl)urea.

Molecular Properties

Compound Name1-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1H-pyridin-3-yl)urea
PubChem CID72852454
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1H-pyridin-3-yl)urea
SMILESCc1nc(CCCNC(=O)Nc2ccc[nH]c2=O)sc1C
InChIInChI=1S/C14H18N4O2S/c1-9-10(2)21-12(17-9)6-4-8-16-14(20)18-11-5-3-7-15-13(11)19/h3,5,7H,4,6,8H2,1-2H3,(H,15,19)(H2,16,18,20)
InChIKeyCWSBEMMCDPJLJK-UHFFFAOYSA-N
XLogP2.20
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1H-pyridin-3-yl)urea?
The IUPAC name of 1-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1H-pyridin-3-yl)urea (CID 72852454) is 1-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1H-pyridin-3-yl)urea.
What is the SMILES notation for 1-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1H-pyridin-3-yl)urea?
The canonical SMILES for 1-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1H-pyridin-3-yl)urea is Cc1nc(CCCNC(=O)Nc2ccc[nH]c2=O)sc1C.
What is the InChIKey of 1-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1H-pyridin-3-yl)urea?
The InChIKey is CWSBEMMCDPJLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9-10(2)21-12(17-9)6-4-8-16-14(20)18-11-5-3-7-15-13(11)19/h3,5,7H,4,6,8H2,1-2H3,(H,15,19)(H2,16,18,20).
What are the key properties of 1-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1H-pyridin-3-yl)urea?
1-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1H-pyridin-3-yl)urea has a molecular weight of 306.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(2-oxo-1H-pyridin-3-yl)urea is sourced from PubChem (CID 72852454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).