4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine

C13H9ClN2S2 — CID 175982198

IUPAC4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine
SMILESClc1csc(-c2csc(Nc3ccccc3)n2)c1
InChIInChI=1S/C13H9ClN2S2/c14-9-6-12(17-7-9)11-8-18-13(16-11)15-10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChIKeyWWIYCKGLFRCSNA-UHFFFAOYSA-N
MW292.82 g/mol
LogP5.27
Rot. Bonds3

About 4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine

4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine (PubChem CID 175982198) has the molecular formula C13H9ClN2S2 and a molecular weight of 292.82 g/mol. Its IUPAC name is 4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine
PubChem CID175982198
Molecular FormulaC13H9ClN2S2
Molecular Weight292.82 g/mol
Exact Mass291.99
IUPAC Name4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine
SMILESClc1csc(-c2csc(Nc3ccccc3)n2)c1
InChIInChI=1S/C13H9ClN2S2/c14-9-6-12(17-7-9)11-8-18-13(16-11)15-10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChIKeyWWIYCKGLFRCSNA-UHFFFAOYSA-N
XLogP5.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.82
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylsulfanylphenyl)-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 122184011
4-(3-chlorophenyl)-N-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 53338312
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 877802
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
4-(2-chlorophenyl)-N-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 58791971
N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214642
1-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 53338296
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
1-[4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-[(2,6-dimethoxyphenyl)methyl]guanidine
CID 87380484
N-(3-benzylphenyl)-4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 58791991
N-(4-chlorophenyl)-4-(5-nitrothiophen-2-yl)-1,3-thiazol-2-amine
CID 10688355

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine (CID 175982198) is 4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine is Clc1csc(-c2csc(Nc3ccccc3)n2)c1.
What is the InChIKey of 4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is WWIYCKGLFRCSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2S2/c14-9-6-12(17-7-9)11-8-18-13(16-11)15-10-4-2-1-3-5-10/h1-8H,(H,15,16).
What are the key properties of 4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine?
4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 292.82 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 175982198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).