2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine

C10H11ClN2S — CID 154476339

IUPAC2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine
SMILESNC1CSC(Cc2ccccc2Cl)=N1
InChIInChI=1S/C10H11ClN2S/c11-8-4-2-1-3-7(8)5-10-13-9(12)6-14-10/h1-4,9H,5-6,12H2
InChIKeySBHBMCMTCAHZHV-UHFFFAOYSA-N
MW226.73 g/mol
LogP2.31
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine

2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine (PubChem CID 154476339) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine
PubChem CID154476339
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine
SMILESNC1CSC(Cc2ccccc2Cl)=N1
InChIInChI=1S/C10H11ClN2S/c11-8-4-2-1-3-7(8)5-10-13-9(12)6-14-10/h1-4,9H,5-6,12H2
InChIKeySBHBMCMTCAHZHV-UHFFFAOYSA-N
XLogP2.31
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 234909
2-[(2-chlorobenzyl)thio]-4,5-dihydro-1H-imidazole hydrochloride
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CID 202677
Thiazole, 4,5-dihydro-2-(2-chlorophenyl)-
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Thiazole, 4,5-dihydro-2-(3-chlorophenyl)-
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2-(2-Chloro-6-fluorobenzylthio)ethylamine
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2-{[(2-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
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2-[(4-Chlorophenyl)methyl]-4,5-dihydrothiazole
CID 460640
2-[(Z)-2-(4-chlorophenyl)vinyl]-4,5-dihydrothiazole
CID 6474282
3-[(2-Chloro-6-fluorophenyl)methylsulfanyl]propan-1-amine
CID 58684446
2-(2,6-Dichloro-benzylsulfanyl)-ethylamine
CID 2776989
4-[(2-chlorophenyl)methylsulfanyl]-5H-pyrimidin-2-one
CID 168654846

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine (CID 154476339) is 2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine is NC1CSC(Cc2ccccc2Cl)=N1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine?
The InChIKey is SBHBMCMTCAHZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c11-8-4-2-1-3-7(8)5-10-13-9(12)6-14-10/h1-4,9H,5-6,12H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine?
2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine has a molecular weight of 226.73 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-4-amine is sourced from PubChem (CID 154476339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).