(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide

C14H17N3OS — CID 139370957

IUPAC(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H17N3OS/c1-2-6-11(15)13(18)17-14-16-12(9-19-14)10-7-4-3-5-8-10/h3-5,7-9,11H,2,6,15H2,1H3,(H,16,17,18)/t11-/m0/s1
InChIKeyJZVHVSLBLWAOEI-NSHDSACASA-N
MW275.38 g/mol
LogP2.88
Rot. Bonds5

About (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide

(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide (PubChem CID 139370957) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
PubChem CID139370957
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H17N3OS/c1-2-6-11(15)13(18)17-14-16-12(9-19-14)10-7-4-3-5-8-10/h3-5,7-9,11H,2,6,15H2,1H3,(H,16,17,18)/t11-/m0/s1
InChIKeyJZVHVSLBLWAOEI-NSHDSACASA-N
XLogP2.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
CID 119264520
[5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamic acid
CID 175099310
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)-6-(sulfamoylamino)hexanamide
CID 75074322
tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate
CID 156819595
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232
(2R)-2-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 103794256
3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one
CID 116554751
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 103794300
(2R)-2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)pentanamide
CID 103795479
benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 1103584

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide (CID 139370957) is (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide is CCC[C@H](N)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is JZVHVSLBLWAOEI-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-6-11(15)13(18)17-14-16-12(9-19-14)10-7-4-3-5-8-10/h3-5,7-9,11H,2,6,15H2,1H3,(H,16,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide?
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 275.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 139370957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).