1-(2-amino-1,3-benzothiazol-6-yl)-3-(4-chlorophenyl)urea

C14H11ClN4OS — CID 162383169

IUPAC1-(2-amino-1,3-benzothiazol-6-yl)-3-(4-chlorophenyl)urea
SMILESNc1nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2s1
InChIInChI=1S/C14H11ClN4OS/c15-8-1-3-9(4-2-8)17-14(20)18-10-5-6-11-12(7-10)21-13(16)19-11/h1-7H,(H2,16,19)(H2,17,18,20)
InChIKeyZFGWVEXIEUHCGK-UHFFFAOYSA-N
MW318.79 g/mol
LogP4.18
Rot. Bonds2

About 1-(2-amino-1,3-benzothiazol-6-yl)-3-(4-chlorophenyl)urea

1-(2-amino-1,3-benzothiazol-6-yl)-3-(4-chlorophenyl)urea (PubChem CID 162383169) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is 1-(2-amino-1,3-benzothiazol-6-yl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(2-amino-1,3-benzothiazol-6-yl)-3-(4-chlorophenyl)urea
PubChem CID162383169
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC Name1-(2-amino-1,3-benzothiazol-6-yl)-3-(4-chlorophenyl)urea
SMILESNc1nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2s1
InChIInChI=1S/C14H11ClN4OS/c15-8-1-3-9(4-2-8)17-14(20)18-10-5-6-11-12(7-10)21-13(16)19-11/h1-7H,(H2,16,19)(H2,17,18,20)
InChIKeyZFGWVEXIEUHCGK-UHFFFAOYSA-N
XLogP4.18
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Benzothiazolediamine
CID 21504
6-Chloro-2-benzothiazolamine
CID 7226
Anilinobenzothiazole
CID 230981
N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 959639
N-(2-amino-1,3-benzothiazol-6-yl)acetamide
CID 231904
1-(1,3-Benzothiazol-2-yl)-3-phenylurea
CID 726342
sEH inhibitor-5
CID 162383180
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 673490
1-(1,3-Benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea
CID 929625
1-(3-Chloro-phenyl)-3-(6-methanesulfonyl-benzothiazol-2-yl)-urea
CID 1069494
N-(6-chloro-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 3279021
1-(6-Chlorobenzo[d]thiazol-2-yl)-3-(4-nitrophenyl)urea
CID 4134388

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-benzothiazol-6-yl)-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(2-amino-1,3-benzothiazol-6-yl)-3-(4-chlorophenyl)urea (CID 162383169) is 1-(2-amino-1,3-benzothiazol-6-yl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(2-amino-1,3-benzothiazol-6-yl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(2-amino-1,3-benzothiazol-6-yl)-3-(4-chlorophenyl)urea is Nc1nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2s1.
What is the InChIKey of 1-(2-amino-1,3-benzothiazol-6-yl)-3-(4-chlorophenyl)urea?
The InChIKey is ZFGWVEXIEUHCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS/c15-8-1-3-9(4-2-8)17-14(20)18-10-5-6-11-12(7-10)21-13(16)19-11/h1-7H,(H2,16,19)(H2,17,18,20).
What are the key properties of 1-(2-amino-1,3-benzothiazol-6-yl)-3-(4-chlorophenyl)urea?
1-(2-amino-1,3-benzothiazol-6-yl)-3-(4-chlorophenyl)urea has a molecular weight of 318.79 g/mol, XLogP of 4.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-benzothiazol-6-yl)-3-(4-chlorophenyl)urea is sourced from PubChem (CID 162383169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).