3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide

C14H16ClN3OS — CID 119698331

IUPAC3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESCC(N)CC(=O)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C14H16ClN3OS/c1-9(16)6-13(19)18-14-17-8-11(20-14)7-10-4-2-3-5-12(10)15/h2-5,8-9H,6-7,16H2,1H3,(H,17,18,19)
InChIKeyXISVLECUNKJXGY-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.06
Rot. Bonds5

About 3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide

3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 119698331) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
PubChem CID119698331
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESCC(N)CC(=O)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C14H16ClN3OS/c1-9(16)6-13(19)18-14-17-8-11(20-14)7-10-4-2-3-5-12(10)15/h2-5,8-9H,6-7,16H2,1H3,(H,17,18,19)
InChIKeyXISVLECUNKJXGY-UHFFFAOYSA-N
XLogP3.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4969221
2-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120984436
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 35955297
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoacetamide
CID 2068778
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 18836122
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 727735
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide
CID 7177750
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(diethylamino)butanamide
CID 58033042
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034757
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenoxy)propanamide
CID 17034532
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 3326554
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide (CID 119698331) is 3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide is CC(N)CC(=O)Nc1ncc(Cc2ccccc2Cl)s1.
What is the InChIKey of 3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is XISVLECUNKJXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-9(16)6-13(19)18-14-17-8-11(20-14)7-10-4-2-3-5-12(10)15/h2-5,8-9H,6-7,16H2,1H3,(H,17,18,19).
What are the key properties of 3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide?
3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 309.82 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 119698331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).