N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide

C14H17N3OS — CID 120508270

IUPACN-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
SMILESC[C@@H](CN)NC(=O)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C14H17N3OS/c1-10(8-15)16-14(18)12-9-19-13(17-12)7-11-5-3-2-4-6-11/h2-6,9-10H,7-8,15H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyPTEFYUUHWQJBLB-JTQLQIEISA-N
MW275.38 g/mol
LogP1.81
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide

N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide (PubChem CID 120508270) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
PubChem CID120508270
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
SMILESC[C@@H](CN)NC(=O)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C14H17N3OS/c1-10(8-15)16-14(18)12-9-19-13(17-12)7-11-5-3-2-4-6-11/h2-6,9-10H,7-8,15H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyPTEFYUUHWQJBLB-JTQLQIEISA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
N-(2-amino-1-cyclopropylethyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119613700
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250
N-[(2S)-1-aminopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 131019261
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
(2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120526918
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119405606
2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63010937
2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 78863881
2-(aminomethyl)-N-(3-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 119790485
2-[(4-benzylpiperazin-1-yl)methyl]-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 46056114

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide (CID 120508270) is N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide is C[C@@H](CN)NC(=O)c1csc(Cc2ccccc2)n1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide?
The InChIKey is PTEFYUUHWQJBLB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(8-15)16-14(18)12-9-19-13(17-12)7-11-5-3-2-4-6-11/h2-6,9-10H,7-8,15H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120508270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).