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

C16H13ClN4OS — CID 87405158

IUPAC1-[(3-chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESO=C(NCc1cccc(Cl)c1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H13ClN4OS/c17-13-3-1-2-11(8-13)9-19-15(22)21-16-20-14(10-23-16)12-4-6-18-7-5-12/h1-8,10H,9H2,(H2,19,20,21,22)
InChIKeyZMGTUZCVLJJGGU-UHFFFAOYSA-N
MW344.83 g/mol
LogP4.18
Rot. Bonds4

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

1-[(3-chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (PubChem CID 87405158) has the molecular formula C16H13ClN4OS and a molecular weight of 344.83 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
PubChem CID87405158
Molecular FormulaC16H13ClN4OS
Molecular Weight344.83 g/mol
Exact Mass344.05
IUPAC Name1-[(3-chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESO=C(NCc1cccc(Cl)c1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H13ClN4OS/c17-13-3-1-2-11(8-13)9-19-15(22)21-16-20-14(10-23-16)12-4-6-18-7-5-12/h1-8,10H,9H2,(H2,19,20,21,22)
InChIKeyZMGTUZCVLJJGGU-UHFFFAOYSA-N
XLogP4.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
3-Pyridinecarboxamide, N-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 684716
3-[4-(Pyridin-4-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10403012
3-[4-(Pyridin-3-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10425386
5-Chloro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10450103
N2-(3-pyridyl)-4-(3-chlorophenyl)-1,3-thiazol-2-amine
CID 2740205
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
(4-Chloro-phenyl)-(4-pyridin-4-yl-thiazol-2-yl)-amine
CID 704499
1-Phenyl-3-(4-pyridin-2-yl-thiazol-2-yl)-urea
CID 10590030
1-Phenyl-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]urea
CID 24768279
N-(phenylmethyl)-4-(3-pyridinyl)-2-thiazolamine
CID 746646

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (CID 87405158) is 1-[(3-chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is O=C(NCc1cccc(Cl)c1)Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The InChIKey is ZMGTUZCVLJJGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS/c17-13-3-1-2-11(8-13)9-19-15(22)21-16-20-14(10-23-16)12-4-6-18-7-5-12/h1-8,10H,9H2,(H2,19,20,21,22).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
1-[(3-chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea has a molecular weight of 344.83 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 87405158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).