[4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol

C16H19NO3S — CID 82436116

IUPAC[4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol
SMILESCOc1ccc(Cc2nc(C3CC3)c(CO)s2)cc1OC
InChIInChI=1S/C16H19NO3S/c1-19-12-6-3-10(7-13(12)20-2)8-15-17-16(11-4-5-11)14(9-18)21-15/h3,6-7,11,18H,4-5,8-9H2,1-2H3
InChIKeyVZPRGSLLTJZFMK-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.12
Rot. Bonds6

About [4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol

[4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol (PubChem CID 82436116) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is [4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol
PubChem CID82436116
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name[4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol
SMILESCOc1ccc(Cc2nc(C3CC3)c(CO)s2)cc1OC
InChIInChI=1S/C16H19NO3S/c1-19-12-6-3-10(7-13(12)20-2)8-15-17-16(11-4-5-11)14(9-18)21-15/h3,6-7,11,18H,4-5,8-9H2,1-2H3
InChIKeyVZPRGSLLTJZFMK-UHFFFAOYSA-N
XLogP3.12
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
CID 82436117
[2-[(3,4-dimethoxyphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82440112
[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436143
1-[4-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366991
2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82436107
1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82437361
2-[(3,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboximidamide
CID 82425721
2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 31264291
[2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436608
5-[(3,4-dimethoxyphenyl)methyl]-3-iodo-1,2,4-thiadiazole
CID 102943641
2-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82369380
N-[[4-cyclopropyl-2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367802

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol (CID 82436116) is [4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol is COc1ccc(Cc2nc(C3CC3)c(CO)s2)cc1OC.
What is the InChIKey of [4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is VZPRGSLLTJZFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-19-12-6-3-10(7-13(12)20-2)8-15-17-16(11-4-5-11)14(9-18)21-15/h3,6-7,11,18H,4-5,8-9H2,1-2H3.
What are the key properties of [4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol?
[4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 305.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82436116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).