4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole

C10H14ClNOS — CID 116705113

IUPAC4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
SMILESCCOC(c1nc(CCl)cs1)C1CC1
InChIInChI=1S/C10H14ClNOS/c1-2-13-9(7-3-4-7)10-12-8(5-11)6-14-10/h6-7,9H,2-5H2,1H3
InChIKeyYNSNKXJNZWYOGI-UHFFFAOYSA-N
MW231.75 g/mol
LogP3.37
Rot. Bonds5

About 4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole

4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole (PubChem CID 116705113) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
PubChem CID116705113
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
SMILESCCOC(c1nc(CCl)cs1)C1CC1
InChIInChI=1S/C10H14ClNOS/c1-2-13-9(7-3-4-7)10-12-8(5-11)6-14-10/h6-7,9H,2-5H2,1H3
InChIKeyYNSNKXJNZWYOGI-UHFFFAOYSA-N
XLogP3.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 53.37
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

methyl 2-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 116705291
N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774768
1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol
CID 116728252
methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate
CID 116705184
4-(3-bromophenyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole
CID 116734463
2-[cyclopropyl(methoxy)methyl]-4-(methoxymethyl)-1,3-thiazole
CID 107511836
N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 116727926
N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116727916
2-[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116744592
4-(chloromethyl)-2-[1-(1,1,1-trifluoropropan-2-yloxy)propyl]-1,3-thiazole
CID 66276349
4-(chloromethyl)-2-[1-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1,3-thiazole
CID 79184549
4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride
CID 71755793

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole (CID 116705113) is 4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole is CCOC(c1nc(CCl)cs1)C1CC1.
What is the InChIKey of 4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole?
The InChIKey is YNSNKXJNZWYOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-2-13-9(7-3-4-7)10-12-8(5-11)6-14-10/h6-7,9H,2-5H2,1H3.
What are the key properties of 4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole?
4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole has a molecular weight of 231.75 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 116705113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).