3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide

C14H16ClN3O2S — CID 39183232

IUPAC3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2nc(NC(=O)CCN)sc2C)cc1Cl
InChIInChI=1S/C14H16ClN3O2S/c1-8-13(9-3-4-11(20-2)10(15)7-9)18-14(21-8)17-12(19)5-6-16/h3-4,7H,5-6,16H2,1-2H3,(H,17,18,19)
InChIKeyDCCRPMDOKWRDJE-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.07
Rot. Bonds5

About 3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide

3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide (PubChem CID 39183232) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
PubChem CID39183232
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(-c2nc(NC(=O)CCN)sc2C)cc1Cl
InChIInChI=1S/C14H16ClN3O2S/c1-8-13(9-3-4-11(20-2)10(15)7-9)18-14(21-8)17-12(19)5-6-16/h3-4,7H,5-6,16H2,1-2H3,(H,17,18,19)
InChIKeyDCCRPMDOKWRDJE-UHFFFAOYSA-N
XLogP3.07
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 108738324
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 48998332
4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119264694
3-(2,5-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 38041071
7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride
CID 119677240
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 108761148
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 108738339
3-(2-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 112763459
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 2541899
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 108810237
[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867349
3-amino-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-1,3-thiazol-2-yl]propanamide
CID 39183325

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide (CID 39183232) is 3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide is COc1ccc(-c2nc(NC(=O)CCN)sc2C)cc1Cl.
What is the InChIKey of 3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is DCCRPMDOKWRDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-8-13(9-3-4-11(20-2)10(15)7-9)18-14(21-8)17-12(19)5-6-16/h3-4,7H,5-6,16H2,1-2H3,(H,17,18,19).
What are the key properties of 3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide?
3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 325.82 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 39183232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).