2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine

C9H10ClN3S — CID 130834561

IUPAC2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine
SMILESClc1sccc1NCCn1ccnc1
InChIInChI=1S/C9H10ClN3S/c10-9-8(1-6-14-9)12-3-5-13-4-2-11-7-13/h1-2,4,6-7,12H,3,5H2
InChIKeyZXWXSHQTPHGHTP-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.71
Rot. Bonds4

About 2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine

2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine (PubChem CID 130834561) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is 2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine.

Molecular Properties

Compound Name2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine
PubChem CID130834561
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC Name2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine
SMILESClc1sccc1NCCn1ccnc1
InChIInChI=1S/C9H10ClN3S/c10-9-8(1-6-14-9)12-3-5-13-4-2-11-7-13/h1-2,4,6-7,12H,3,5H2
InChIKeyZXWXSHQTPHGHTP-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-N-(2-imidazol-1-ylethyl)benzene-1,4-diamine
CID 61324074
2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
2-imidazol-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 62999538
2-(2-imidazol-1-ylethylamino)benzonitrile
CID 60677676
3-chloro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325720
4-bromo-1-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61324281
N-(2-imidazol-1-ylethyl)pyrimidin-4-amine
CID 61325111
N-(3-imidazol-1-ylpropyl)thiophen-2-amine
CID 91018147
3-chloro-1-N-(3-imidazol-1-ylpropyl)benzene-1,2-diamine
CID 104833984
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-imidazol-1-ylethanamine
CID 104878423
2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide
CID 61326146
3-bromo-N-(2-imidazol-1-ylethyl)thiophene-2-sulfonamide
CID 61072946

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine?
The IUPAC name of 2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine (CID 130834561) is 2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine.
What is the SMILES notation for 2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine?
The canonical SMILES for 2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine is Clc1sccc1NCCn1ccnc1.
What is the InChIKey of 2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine?
The InChIKey is ZXWXSHQTPHGHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S/c10-9-8(1-6-14-9)12-3-5-13-4-2-11-7-13/h1-2,4,6-7,12H,3,5H2.
What are the key properties of 2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine?
2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine has a molecular weight of 227.72 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-imidazol-1-ylethyl)thiophen-3-amine is sourced from PubChem (CID 130834561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).