2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide

C14H17N3OS — CID 114927829

IUPAC2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESNC(CCc1ccccc1)C(=O)NCc1nccs1
InChIInChI=1S/C14H17N3OS/c15-12(7-6-11-4-2-1-3-5-11)14(18)17-10-13-16-8-9-19-13/h1-5,8-9,12H,6-7,10,15H2,(H,17,18)
InChIKeyWLXJWZLVAYLYAF-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.72
Rot. Bonds6

About 2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide

2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide (PubChem CID 114927829) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
PubChem CID114927829
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESNC(CCc1ccccc1)C(=O)NCc1nccs1
InChIInChI=1S/C14H17N3OS/c15-12(7-6-11-4-2-1-3-5-11)14(18)17-10-13-16-8-9-19-13/h1-5,8-9,12H,6-7,10,15H2,(H,17,18)
InChIKeyWLXJWZLVAYLYAF-UHFFFAOYSA-N
XLogP1.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 78985618
2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide
CID 114927077
2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283682
(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 79023405
(2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 104908214
2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide
CID 61284261
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 104903307
3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 62878373
2-phenyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 129204775
2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide
CID 114924929
(2S)-2-amino-N-[(2-bromophenyl)methyl]-4-phenylbutanamide
CID 104984212

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The IUPAC name of 2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide (CID 114927829) is 2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The canonical SMILES for 2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide is NC(CCc1ccccc1)C(=O)NCc1nccs1.
What is the InChIKey of 2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The InChIKey is WLXJWZLVAYLYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c15-12(7-6-11-4-2-1-3-5-11)14(18)17-10-13-16-8-9-19-13/h1-5,8-9,12H,6-7,10,15H2,(H,17,18).
What are the key properties of 2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide?
2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide has a molecular weight of 275.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide is sourced from PubChem (CID 114927829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).