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

C19H13ClN4OS — CID 166073374

IUPAC1-(3-chlorophenyl)-3-(6-pyridin-2-yl-1,3-benzothiazol-2-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc2ccc(-c3ccccn3)cc2s1
InChIInChI=1S/C19H13ClN4OS/c20-13-4-3-5-14(11-13)22-18(25)24-19-23-16-8-7-12(10-17(16)26-19)15-6-1-2-9-21-15/h1-11H,(H2,22,23,24,25)
InChIKeyUGHMIGJPTZQMQO-UHFFFAOYSA-N
MW380.86 g/mol
LogP5.66
Rot. Bonds3

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

1-(3-chlorophenyl)-3-(6-pyridin-2-yl-1,3-benzothiazol-2-yl)urea (PubChem CID 166073374) has the molecular formula C19H13ClN4OS and a molecular weight of 380.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(6-pyridin-2-yl-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(6-pyridin-2-yl-1,3-benzothiazol-2-yl)urea
PubChem CID166073374
Molecular FormulaC19H13ClN4OS
Molecular Weight380.86 g/mol
Exact Mass380.05
IUPAC Name1-(3-chlorophenyl)-3-(6-pyridin-2-yl-1,3-benzothiazol-2-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nc2ccc(-c3ccccn3)cc2s1
InChIInChI=1S/C19H13ClN4OS/c20-13-4-3-5-14(11-13)22-18(25)24-19-23-16-8-7-12(10-17(16)26-19)15-6-1-2-9-21-15/h1-11H,(H2,22,23,24,25)
InChIKeyUGHMIGJPTZQMQO-UHFFFAOYSA-N
XLogP5.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.86
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 44481151
N-[6-[6-Chloro-5-[[(4-fluorophenyl)sulfonyl]amino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 50990924
N-[6-[5-(benzenesulfonamido)-6-chloro-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 44623107
n-(6-(6-Chloro-5-(3-(trifluoromethyl)phenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51354879
n-(6-(6-Chloro-5-(4-(trifluoromethyl)phenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51354880
n-(6-(6-Chloro-5-(3-chlorophenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51354882
N-(6-(6-chloro-5-(4-chlorophenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51354883
n-(6-(5-(3-Tert-butylphenylsulfonamido)-6-chloropyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51355171
N-(6-(6-Chloro-5-(4-tert-butylphenylsulfonamido)pyridin-3-yl)benzo[d]thiazol-2-yl)acetamide
CID 51355172
(1s,2s)-2-{4-[(Dimethylamino)methyl]phenyl}-N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]cyclopropanecarboxamide
CID 71777716
N-[6-[6-chloro-5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 51354878
N-[6-[6-chloro-5-[(2-chlorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzothiazol-2-yl]acetamide
CID 51354881

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(6-pyridin-2-yl-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(6-pyridin-2-yl-1,3-benzothiazol-2-yl)urea (CID 166073374) is 1-(3-chlorophenyl)-3-(6-pyridin-2-yl-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(6-pyridin-2-yl-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(6-pyridin-2-yl-1,3-benzothiazol-2-yl)urea is O=C(Nc1cccc(Cl)c1)Nc1nc2ccc(-c3ccccn3)cc2s1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(6-pyridin-2-yl-1,3-benzothiazol-2-yl)urea?
The InChIKey is UGHMIGJPTZQMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4OS/c20-13-4-3-5-14(11-13)22-18(25)24-19-23-16-8-7-12(10-17(16)26-19)15-6-1-2-9-21-15/h1-11H,(H2,22,23,24,25).
What are the key properties of 1-(3-chlorophenyl)-3-(6-pyridin-2-yl-1,3-benzothiazol-2-yl)urea?
1-(3-chlorophenyl)-3-(6-pyridin-2-yl-1,3-benzothiazol-2-yl)urea has a molecular weight of 380.86 g/mol, XLogP of 5.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(6-pyridin-2-yl-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 166073374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).