2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide

C15H19N3OS — CID 114927077

IUPAC2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide
SMILESCc1csc(CNC(=O)C(N)CCc2ccccc2)n1
InChIInChI=1S/C15H19N3OS/c1-11-10-20-14(18-11)9-17-15(19)13(16)8-7-12-5-3-2-4-6-12/h2-6,10,13H,7-9,16H2,1H3,(H,17,19)
InChIKeyFWNRWAOLCBUSGS-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.03
Rot. Bonds6

About 2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide

2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide (PubChem CID 114927077) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide
PubChem CID114927077
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide
SMILESCc1csc(CNC(=O)C(N)CCc2ccccc2)n1
InChIInChI=1S/C15H19N3OS/c1-11-10-20-14(18-11)9-17-15(19)13(16)8-7-12-5-3-2-4-6-12/h2-6,10,13H,7-9,16H2,1H3,(H,17,19)
InChIKeyFWNRWAOLCBUSGS-UHFFFAOYSA-N
XLogP2.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 114927829
1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutane-1,2-diamine
CID 114929622
benzyl N-methylcarbamate;benzyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 160848771
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide
CID 106371744
(2S)-2-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 130629082
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide
CID 63240116
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylacetamide
CID 55175614
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-phenylbutane-1,2-diamine
CID 114929723
2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide
CID 114955951
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-4-phenylbutanamide
CID 166260300
(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 61157071
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide?
The IUPAC name of 2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide (CID 114927077) is 2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide is Cc1csc(CNC(=O)C(N)CCc2ccccc2)n1.
What is the InChIKey of 2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide?
The InChIKey is FWNRWAOLCBUSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-10-20-14(18-11)9-17-15(19)13(16)8-7-12-5-3-2-4-6-12/h2-6,10,13H,7-9,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide?
2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide has a molecular weight of 289.40 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 114927077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).