N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide

C12H21N3OS — CID 96519869

IUPACN-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
SMILESCC[C@](C)(NCC(=O)NC(C)C)c1nccs1
InChIInChI=1S/C12H21N3OS/c1-5-12(4,11-13-6-7-17-11)14-8-10(16)15-9(2)3/h6-7,9,14H,5,8H2,1-4H3,(H,15,16)/t12-/m0/s1
InChIKeyKINLHIAEBNJCLE-LBPRGKRZSA-N
MW255.39 g/mol
LogP1.88
Rot. Bonds6

About N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide

N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide (PubChem CID 96519869) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
PubChem CID96519869
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
SMILESCC[C@](C)(NCC(=O)NC(C)C)c1nccs1
InChIInChI=1S/C12H21N3OS/c1-5-12(4,11-13-6-7-17-11)14-8-10(16)15-9(2)3/h6-7,9,14H,5,8H2,1-4H3,(H,15,16)/t12-/m0/s1
InChIKeyKINLHIAEBNJCLE-LBPRGKRZSA-N
XLogP1.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901357
N-[(1R,2R)-2-methylcyclohexyl]-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 124741779
1-(4-acetylpiperazin-1-yl)-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901396
N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868953
2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 146085866
N-[2-(4-methylphenoxy)phenyl]-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 95783742
4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride
CID 119892442
2-hydroxy-2-phenyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 111539967
1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol
CID 111496642
N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 122132301
N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 71986720
5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685730

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide?
The IUPAC name of N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide (CID 96519869) is N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide?
The canonical SMILES for N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide is CC[C@](C)(NCC(=O)NC(C)C)c1nccs1.
What is the InChIKey of N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide?
The InChIKey is KINLHIAEBNJCLE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-5-12(4,11-13-6-7-17-11)14-8-10(16)15-9(2)3/h6-7,9,14H,5,8H2,1-4H3,(H,15,16)/t12-/m0/s1.
What are the key properties of N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide?
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide has a molecular weight of 255.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide is sourced from PubChem (CID 96519869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).