N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline

C15H13ClN2S2 — CID 60927533

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline
SMILESCC(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H13ClN2S2/c1-10(13-6-7-14(16)20-13)18-12-4-2-11(3-5-12)15-17-8-9-19-15/h2-10,18H,1H3
InChIKeyHZIDHIGPJBJHBO-UHFFFAOYSA-N
MW320.87 g/mol
LogP5.70
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline

N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline (PubChem CID 60927533) has the molecular formula C15H13ClN2S2 and a molecular weight of 320.87 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline
PubChem CID60927533
Molecular FormulaC15H13ClN2S2
Molecular Weight320.87 g/mol
Exact Mass320.02
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline
SMILESCC(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H13ClN2S2/c1-10(13-6-7-14(16)20-13)18-12-4-2-11(3-5-12)15-17-8-9-19-15/h2-10,18H,1H3
InChIKeyHZIDHIGPJBJHBO-UHFFFAOYSA-N
XLogP5.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.87
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1H-pyrazol-5-yl)aniline
CID 43733318
N-[1-(3-chlorophenyl)ethyl]-4-(1,3-thiazol-2-yl)aniline
CID 60928680
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993
N-butan-2-yl-4-(1,3-thiazol-2-yl)aniline
CID 60927080
5-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61468979
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60935914
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(2-methyl-1,3-oxazol-4-yl)aniline
CID 43704811
N-[1-(5-chlorothiophen-2-yl)ethyl]pyridin-3-amine
CID 43438915
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine
CID 107803759
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylbenzene-1,4-diamine
CID 54954956
N-hexan-2-yl-4-(1,3-thiazol-2-yl)aniline
CID 54862009
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline (CID 60927533) is N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline is CC(Nc1ccc(-c2nccs2)cc1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is HZIDHIGPJBJHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S2/c1-10(13-6-7-14(16)20-13)18-12-4-2-11(3-5-12)15-17-8-9-19-15/h2-10,18H,1H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline?
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline has a molecular weight of 320.87 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 60927533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).