N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine

C11H11ClN2S — CID 60658715

IUPACN-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine
SMILESClc1ccc(CCNc2nccs2)cc1
InChIInChI=1S/C11H11ClN2S/c12-10-3-1-9(2-4-10)5-6-13-11-14-7-8-15-11/h1-4,7-8H,5-6H2,(H,13,14)
InChIKeyOIGVDZBXROLIDI-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.45
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine

N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 60658715) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID60658715
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine
SMILESClc1ccc(CCNc2nccs2)cc1
InChIInChI=1S/C11H11ClN2S/c12-10-3-1-9(2-4-10)5-6-13-11-14-7-8-15-11/h1-4,7-8H,5-6H2,(H,13,14)
InChIKeyOIGVDZBXROLIDI-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyridin-3-ylethyl)-1,3-thiazol-2-amine
CID 60754112
CID 59694819
CID 59694819
N-[2-(3-iodophenyl)ethyl]-1,3-thiazol-2-amine
CID 173407202
N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 29276059
2-(1,3-thiazol-2-ylamino)ethanethiol
CID 88739405
N-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694023
2-[2-(4-chlorophenyl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 80568324
N-[2-(cyclohexen-1-yl)ethyl]-1,3-thiazol-2-amine
CID 60658905
N-[2-(4-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65277041
N-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine
CID 63759016
N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694067
N-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 78982895

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine (CID 60658715) is N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine is Clc1ccc(CCNc2nccs2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is OIGVDZBXROLIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c12-10-3-1-9(2-4-10)5-6-13-11-14-7-8-15-11/h1-4,7-8H,5-6H2,(H,13,14).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine?
N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 238.74 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 60658715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).