(2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide

C16H21N3OS — CID 95624526

IUPAC(2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide
SMILESCC[C@@H](N[C@@H](C)c1sc(-c2ccccc2)nc1C)C(N)=O
InChIInChI=1S/C16H21N3OS/c1-4-13(15(17)20)18-10(2)14-11(3)19-16(21-14)12-8-6-5-7-9-12/h5-10,13,18H,4H2,1-3H3,(H2,17,20)/t10-,13+/m0/s1
InChIKeyYCODENVLHVCKIP-GXFFZTMASA-N
MW303.43 g/mol
LogP3.03
Rot. Bonds6

About (2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide

(2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide (PubChem CID 95624526) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide
PubChem CID95624526
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name(2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide
SMILESCC[C@@H](N[C@@H](C)c1sc(-c2ccccc2)nc1C)C(N)=O
InChIInChI=1S/C16H21N3OS/c1-4-13(15(17)20)18-10(2)14-11(3)19-16(21-14)12-8-6-5-7-9-12/h5-10,13,18H,4H2,1-3H3,(H2,17,20)/t10-,13+/m0/s1
InChIKeyYCODENVLHVCKIP-GXFFZTMASA-N
XLogP3.03
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 60568920
2,2-dimethyl-4-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 119133695
(2S)-2-amino-3,3-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 119750100
1-amino-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119750075
(2S)-2-amino-3,3-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;hydrochloride
CID 119750099
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine
CID 116887194
2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 119750102
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]butanamide
CID 81375406
N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 60568808
2-methyl-3-(methylamino)-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]propanamide
CID 119779776
4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide
CID 126769370
2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride
CID 119778553

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide?
The IUPAC name of (2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide (CID 95624526) is (2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide.
What is the SMILES notation for (2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide?
The canonical SMILES for (2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide is CC[C@@H](N[C@@H](C)c1sc(-c2ccccc2)nc1C)C(N)=O.
What is the InChIKey of (2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide?
The InChIKey is YCODENVLHVCKIP-GXFFZTMASA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-13(15(17)20)18-10(2)14-11(3)19-16(21-14)12-8-6-5-7-9-12/h5-10,13,18H,4H2,1-3H3,(H2,17,20)/t10-,13+/m0/s1.
What are the key properties of (2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide?
(2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide has a molecular weight of 303.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide is sourced from PubChem (CID 95624526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).