1-(4-chloro-3-cyanophenyl)-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea

C14H7Cl2N5OS — CID 146255153

IUPAC1-(4-chloro-3-cyanophenyl)-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESN#Cc1cc(NC(=O)Nc2nc3ccc(Cl)nc3s2)ccc1Cl
InChIInChI=1S/C14H7Cl2N5OS/c15-9-2-1-8(5-7(9)6-17)18-13(22)21-14-19-10-3-4-11(16)20-12(10)23-14/h1-5H,(H2,18,19,21,22)
InChIKeyCNPJMQWRMXJKDB-UHFFFAOYSA-N
MW364.22 g/mol
LogP4.51
Rot. Bonds2

About 1-(4-chloro-3-cyanophenyl)-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea

1-(4-chloro-3-cyanophenyl)-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (PubChem CID 146255153) has the molecular formula C14H7Cl2N5OS and a molecular weight of 364.22 g/mol. Its IUPAC name is 1-(4-chloro-3-cyanophenyl)-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-(4-chloro-3-cyanophenyl)-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
PubChem CID146255153
Molecular FormulaC14H7Cl2N5OS
Molecular Weight364.22 g/mol
Exact Mass362.97
IUPAC Name1-(4-chloro-3-cyanophenyl)-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea
SMILESN#Cc1cc(NC(=O)Nc2nc3ccc(Cl)nc3s2)ccc1Cl
InChIInChI=1S/C14H7Cl2N5OS/c15-9-2-1-8(5-7(9)6-17)18-13(22)21-14-19-10-3-4-11(16)20-12(10)23-14/h1-5H,(H2,18,19,21,22)
InChIKeyCNPJMQWRMXJKDB-UHFFFAOYSA-N
XLogP4.51
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloro-1,3-benzothiazol-2-yl)-3-(3-chloro-4-cyanophenyl)urea
CID 146254972
1-(4-bromo-3-cyanophenyl)-3-(6-chloro-1,3-benzothiazol-2-yl)urea
CID 146255729
2-amino-N-(4-chloro-3-cyanophenyl)propanamide
CID 43703829
1-(4-cyano-1-methylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea
CID 104593247
2-[(4-chloro-3-cyanophenyl)carbamoylamino]-2-ethylbutanoic acid
CID 139384614
2-[(3-chloro-4-hydroxyphenyl)carbamoylamino]-N,N-dimethyl-1,3-benzothiazole-6-carboxamide
CID 151022798
1-(4-aminophenyl)-3-(3-chloro-4-cyanophenyl)urea
CID 43469099
N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide
CID 63005956
2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide
CID 60704758
(E)-N-(4-chloro-3-cyanophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 18285555
4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 81308168
tert-butyl N-[2-[2-[(3-chloro-4-cyanophenyl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]carbamate
CID 88954324

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-cyanophenyl)-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The IUPAC name of 1-(4-chloro-3-cyanophenyl)-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea (CID 146255153) is 1-(4-chloro-3-cyanophenyl)-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea.
What is the SMILES notation for 1-(4-chloro-3-cyanophenyl)-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The canonical SMILES for 1-(4-chloro-3-cyanophenyl)-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is N#Cc1cc(NC(=O)Nc2nc3ccc(Cl)nc3s2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-cyanophenyl)-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
The InChIKey is CNPJMQWRMXJKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2N5OS/c15-9-2-1-8(5-7(9)6-17)18-13(22)21-14-19-10-3-4-11(16)20-12(10)23-14/h1-5H,(H2,18,19,21,22).
What are the key properties of 1-(4-chloro-3-cyanophenyl)-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea?
1-(4-chloro-3-cyanophenyl)-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea has a molecular weight of 364.22 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-cyanophenyl)-3-(5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)urea is sourced from PubChem (CID 146255153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).