1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea

C12H14N4OS — CID 110491780

IUPAC1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea
SMILESCC(C)c1csc(NC(=O)Nc2ccccn2)n1
InChIInChI=1S/C12H14N4OS/c1-8(2)9-7-18-12(14-9)16-11(17)15-10-5-3-4-6-13-10/h3-8H,1-2H3,(H2,13,14,15,16,17)
InChIKeyQJAAUTMESKYQQR-UHFFFAOYSA-N
MW262.34 g/mol
LogP3.31
Rot. Bonds3

About 1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea

1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea (PubChem CID 110491780) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea
PubChem CID110491780
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea
SMILESCC(C)c1csc(NC(=O)Nc2ccccn2)n1
InChIInChI=1S/C12H14N4OS/c1-8(2)9-7-18-12(14-9)16-11(17)15-10-5-3-4-6-13-10/h3-8H,1-2H3,(H2,13,14,15,16,17)
InChIKeyQJAAUTMESKYQQR-UHFFFAOYSA-N
XLogP3.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
CID 103616001
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 64557648
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310
1-(1,3-benzothiazol-2-yl)-3-pyridin-2-ylurea
CID 110491805
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea
CID 64543045
3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-sulfanylpropanamide
CID 107025328
1-(2-methyl-6-propan-2-ylphenyl)-3-pyridin-2-ylurea
CID 110491803
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 30715657
(2R)-2-amino-3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78985596

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea (CID 110491780) is 1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea is CC(C)c1csc(NC(=O)Nc2ccccn2)n1.
What is the InChIKey of 1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea?
The InChIKey is QJAAUTMESKYQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8(2)9-7-18-12(14-9)16-11(17)15-10-5-3-4-6-13-10/h3-8H,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea?
1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea has a molecular weight of 262.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea is sourced from PubChem (CID 110491780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).