5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride

C11H11Cl2NOS — CID 54759132

IUPAC5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride
SMILESCOc1cccc(-c2ncc(CCl)s2)c1.Cl
InChIInChI=1S/C11H10ClNOS.ClH/c1-14-9-4-2-3-8(5-9)11-13-7-10(6-12)15-11;/h2-5,7H,6H2,1H3;1H
InChIKeyXRRDBPFWNHZRFY-UHFFFAOYSA-N
MW276.19 g/mol
LogP3.98
Rot. Bonds3

About 5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride

5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride (PubChem CID 54759132) has the molecular formula C11H11Cl2NOS and a molecular weight of 276.19 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride
PubChem CID54759132
Molecular FormulaC11H11Cl2NOS
Molecular Weight276.19 g/mol
Exact Mass274.99
IUPAC Name5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride
SMILESCOc1cccc(-c2ncc(CCl)s2)c1.Cl
InChIInChI=1S/C11H10ClNOS.ClH/c1-14-9-4-2-3-8(5-9)11-13-7-10(6-12)15-11;/h2-5,7H,6H2,1H3;1H
InChIKeyXRRDBPFWNHZRFY-UHFFFAOYSA-N
XLogP3.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82424209
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 77090810
2-chloro-5-(3-methoxyphenyl)-1,3-thiazole
CID 117259772
1-[(1R,5S)-3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine
CID 56901845
N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide
CID 56892863
1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280554
N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62651552
4-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methylpiperazine-2-carboxylic acid
CID 135095144
cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 133136628
2-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82369371
1-[2-(6-methoxynaphthalen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280182
6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24917459

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride?
The IUPAC name of 5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride (CID 54759132) is 5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride is COc1cccc(-c2ncc(CCl)s2)c1.Cl.
What is the InChIKey of 5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride?
The InChIKey is XRRDBPFWNHZRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS.ClH/c1-14-9-4-2-3-8(5-9)11-13-7-10(6-12)15-11;/h2-5,7H,6H2,1H3;1H.
What are the key properties of 5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride?
5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride has a molecular weight of 276.19 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 54759132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).