4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzonitrile

C16H11N5OS — CID 71662401

IUPAC4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2nc(N)c(C(=O)c3cccnc3)s2)cc1
InChIInChI=1S/C16H11N5OS/c17-8-10-3-5-12(6-4-10)20-16-21-15(18)14(23-16)13(22)11-2-1-7-19-9-11/h1-7,9H,18H2,(H,20,21)
InChIKeyYMMGLOXZNPWOCO-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.97
Rot. Bonds4

About 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzonitrile

4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzonitrile (PubChem CID 71662401) has the molecular formula C16H11N5OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzonitrile
PubChem CID71662401
Molecular FormulaC16H11N5OS
Molecular Weight321.37 g/mol
Exact Mass321.07
IUPAC Name4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2nc(N)c(C(=O)c3cccnc3)s2)cc1
InChIInChI=1S/C16H11N5OS/c17-8-10-3-5-12(6-4-10)20-16-21-15(18)14(23-16)13(22)11-2-1-7-19-9-11/h1-7,9H,18H2,(H,20,21)
InChIKeyYMMGLOXZNPWOCO-UHFFFAOYSA-N
XLogP2.97
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 73347326
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
4-amino-2-anilino-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 44621369
[4-amino-2-(4-bromoanilino)-1,3-thiazol-5-yl]-(3-bromophenyl)methanone
CID 46285835
[4-amino-2-[4-[2-(dimethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone;ethane
CID 142830675
phenyl-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-5-yl]methanone
CID 12568925
[4-amino-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,3-thiazol-5-yl]-(3-methoxyphenyl)methanone
CID 10255353
[4-amino-2-[4-[2-(ethylamino)ethoxy]anilino]-1,3-thiazol-5-yl]-(3-methylphenyl)methanone
CID 10321833
ethyl 4-[[4-amino-5-(4-bromobenzoyl)-1,3-thiazol-2-yl]amino]benzoate
CID 50761349
N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide
CID 6895632
N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide
CID 78965630
4-[4-(dimethylamino)-2-(3-methylanilino)-1,3-thiazole-5-carbonyl]benzonitrile
CID 134501152

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzonitrile?
The IUPAC name of 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzonitrile (CID 71662401) is 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzonitrile?
The canonical SMILES for 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzonitrile is N#Cc1ccc(Nc2nc(N)c(C(=O)c3cccnc3)s2)cc1.
What is the InChIKey of 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzonitrile?
The InChIKey is YMMGLOXZNPWOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5OS/c17-8-10-3-5-12(6-4-10)20-16-21-15(18)14(23-16)13(22)11-2-1-7-19-9-11/h1-7,9H,18H2,(H,20,21).
What are the key properties of 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzonitrile?
4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzonitrile has a molecular weight of 321.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-(pyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]benzonitrile is sourced from PubChem (CID 71662401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).