(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide

C8H11N3O2S — CID 64556720

IUPAC(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide
SMILESCC(=O)c1csc(NC(=O)[C@@H](C)N)n1
InChIInChI=1S/C8H11N3O2S/c1-4(9)7(13)11-8-10-6(3-14-8)5(2)12/h3-4H,9H2,1-2H3,(H,10,11,13)/t4-/m1/s1
InChIKeyPANDLZPWXMPQCI-SCSAIBSYSA-N
MW213.26 g/mol
LogP0.63
Rot. Bonds3

About (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide

(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide (PubChem CID 64556720) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide
PubChem CID64556720
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide
SMILESCC(=O)c1csc(NC(=O)[C@@H](C)N)n1
InChIInChI=1S/C8H11N3O2S/c1-4(9)7(13)11-8-10-6(3-14-8)5(2)12/h3-4H,9H2,1-2H3,(H,10,11,13)/t4-/m1/s1
InChIKeyPANDLZPWXMPQCI-SCSAIBSYSA-N
XLogP0.63
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide
CID 64557722
(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-(diaminomethylideneamino)propanamide
CID 134822015
2-(cyclopropylamino)-N-(propan-2-yl)-1,3-thiazole-4-carboxamide
CID 49656855
(2R)-N-(4-acetyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
CID 156020031
2-Acetylaminothiazol-4-carboxamide
CID 257200
N-(4-(1-aminoethyl)-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 64557249
(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide hydrochloride
CID 119031486
(2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
CID 134822011
[(2~{r})-1-[(4-Ethanoyl-1,3-Thiazol-2-Yl)amino]-1-Oxidanylidene-Propan-2-Yl]azanium
CID 137348403
N-methyl-2-propionamidothiazole-4-carboxamide
CID 16915486
2-acetamido-N-propyl-1,3-thiazole-4-carboxamide
CID 16915932
2-acetamido-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 40151352

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide?
The IUPAC name of (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide (CID 64556720) is (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide.
What is the SMILES notation for (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide?
The canonical SMILES for (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide is CC(=O)c1csc(NC(=O)[C@@H](C)N)n1.
What is the InChIKey of (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide?
The InChIKey is PANDLZPWXMPQCI-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-4(9)7(13)11-8-10-6(3-14-8)5(2)12/h3-4H,9H2,1-2H3,(H,10,11,13)/t4-/m1/s1.
What are the key properties of (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide?
(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide has a molecular weight of 213.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide is sourced from PubChem (CID 64556720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).