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

C16H20ClN3O2S — CID 120587828

IUPAC4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C16H20ClN3O2S/c1-10-3-4-11(6-14(10)17)5-13-9-19-16(23-13)20-15(21)7-12(8-18)22-2/h3-4,6,9,12H,5,7-8,18H2,1-2H3,(H,19,20,21)
InChIKeyNFSUCPBPTBJYAZ-UHFFFAOYSA-N
MW353.88 g/mol
LogP3.00
Rot. Bonds7

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

4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide (PubChem CID 120587828) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide
PubChem CID120587828
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1
InChIInChI=1S/C16H20ClN3O2S/c1-10-3-4-11(6-14(10)17)5-13-9-19-16(23-13)20-15(21)7-12(8-18)22-2/h3-4,6,9,12H,5,7-8,18H2,1-2H3,(H,19,20,21)
InChIKeyNFSUCPBPTBJYAZ-UHFFFAOYSA-N
XLogP3.00
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide
CID 120587826
4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride
CID 120590420
4-amino-3-methoxy-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 120587824
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 6488306
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 18827810
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 30685113
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 18827803
2-(4-acetyl-2-methoxyphenoxy)-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 55538156
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-pyrazol-1-ylacetamide
CID 46479822
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17034914
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 18836200
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide
CID 52559723

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide (CID 120587828) is 4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1.
What is the InChIKey of 4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide?
The InChIKey is NFSUCPBPTBJYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-10-3-4-11(6-14(10)17)5-13-9-19-16(23-13)20-15(21)7-12(8-18)22-2/h3-4,6,9,12H,5,7-8,18H2,1-2H3,(H,19,20,21).
What are the key properties of 4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide?
4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide has a molecular weight of 353.88 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide is sourced from PubChem (CID 120587828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).