5-(5-chloro-2-methylanilino)-3-methyl-1,2-thiazole-4-carbonitrile

C12H10ClN3S — CID 79375615

IUPAC5-(5-chloro-2-methylanilino)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCc1ccc(Cl)cc1Nc1snc(C)c1C#N
InChIInChI=1S/C12H10ClN3S/c1-7-3-4-9(13)5-11(7)15-12-10(6-14)8(2)16-17-12/h3-5,15H,1-2H3
InChIKeySDKXMUUIVLQIIU-UHFFFAOYSA-N
MW263.75 g/mol
LogP4.03
Rot. Bonds2

About 5-(5-chloro-2-methylanilino)-3-methyl-1,2-thiazole-4-carbonitrile

5-(5-chloro-2-methylanilino)-3-methyl-1,2-thiazole-4-carbonitrile (PubChem CID 79375615) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 5-(5-chloro-2-methylanilino)-3-methyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(5-chloro-2-methylanilino)-3-methyl-1,2-thiazole-4-carbonitrile
PubChem CID79375615
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name5-(5-chloro-2-methylanilino)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCc1ccc(Cl)cc1Nc1snc(C)c1C#N
InChIInChI=1S/C12H10ClN3S/c1-7-3-4-9(13)5-11(7)15-12-10(6-14)8(2)16-17-12/h3-5,15H,1-2H3
InChIKeySDKXMUUIVLQIIU-UHFFFAOYSA-N
XLogP4.03
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dichloroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79376487
5-(2-chloro-5-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 107531703
3-methyl-5-(2,4,5-trifluoroanilino)-1,2-thiazole-4-carbonitrile
CID 79376141
5-[2-(2,4-dichlorophenyl)ethylamino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375694
5-[2-chloro-5-(trifluoromethyl)anilino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375532
5-(4-bromo-2,5-difluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 107608269
5-(3-cyano-4-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375210
3-methyl-5-(3,4,5-trifluoroanilino)-1,2-thiazole-4-carbonitrile
CID 79376054
3-methyl-5-(2-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile
CID 107646947
5-(4-bromo-3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375133
5-[4-fluoro-3-(trifluoromethyl)anilino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375707
2-(5-chloro-2-methylanilino)-5-methylbenzonitrile
CID 114016776

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methylanilino)-3-methyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-(5-chloro-2-methylanilino)-3-methyl-1,2-thiazole-4-carbonitrile (CID 79375615) is 5-(5-chloro-2-methylanilino)-3-methyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-(5-chloro-2-methylanilino)-3-methyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-(5-chloro-2-methylanilino)-3-methyl-1,2-thiazole-4-carbonitrile is Cc1ccc(Cl)cc1Nc1snc(C)c1C#N.
What is the InChIKey of 5-(5-chloro-2-methylanilino)-3-methyl-1,2-thiazole-4-carbonitrile?
The InChIKey is SDKXMUUIVLQIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c1-7-3-4-9(13)5-11(7)15-12-10(6-14)8(2)16-17-12/h3-5,15H,1-2H3.
What are the key properties of 5-(5-chloro-2-methylanilino)-3-methyl-1,2-thiazole-4-carbonitrile?
5-(5-chloro-2-methylanilino)-3-methyl-1,2-thiazole-4-carbonitrile has a molecular weight of 263.75 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methylanilino)-3-methyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 79375615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).