2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole

C13H14ClNOS — CID 160973028

IUPAC2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole
SMILESCOc1cccc(-c2nc(Cl)sc2C(C)C)c1
InChIInChI=1S/C13H14ClNOS/c1-8(2)12-11(15-13(14)17-12)9-5-4-6-10(7-9)16-3/h4-8H,1-3H3
InChIKeySYMVCAYVNMRGHD-UHFFFAOYSA-N
MW267.78 g/mol
LogP4.60
Rot. Bonds3

About 2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole

2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 160973028) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole
PubChem CID160973028
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole
SMILESCOc1cccc(-c2nc(Cl)sc2C(C)C)c1
InChIInChI=1S/C13H14ClNOS/c1-8(2)12-11(15-13(14)17-12)9-5-4-6-10(7-9)16-3/h4-8H,1-3H3
InChIKeySYMVCAYVNMRGHD-UHFFFAOYSA-N
XLogP4.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 54307577
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975932
2-chloro-5-(3-methoxyphenyl)-1,3-thiazole
CID 117259772
4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole
CID 141358223
6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974789
1-methoxy-3-(3-propan-2-ylphenyl)benzene
CID 23110868
[1-[4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]-5-(trifluoromethyl)indazol-3-yl]methanamine
CID 74222851
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-[4-(3-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 116867830
1-chloroisoquinoline;1-(3-methoxyphenyl)isoquinoline
CID 175032072

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole (CID 160973028) is 2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole is COc1cccc(-c2nc(Cl)sc2C(C)C)c1.
What is the InChIKey of 2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is SYMVCAYVNMRGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-8(2)12-11(15-13(14)17-12)9-5-4-6-10(7-9)16-3/h4-8H,1-3H3.
What are the key properties of 2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole?
2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 267.78 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 160973028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).