2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide

C9H15N3OS — CID 83620150

IUPAC2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCc1nc(CCNC(=O)C(C)N)cs1
InChIInChI=1S/C9H15N3OS/c1-6(10)9(13)11-4-3-8-5-14-7(2)12-8/h5-6H,3-4,10H2,1-2H3,(H,11,13)
InChIKeyVCRIKUFQYSALOM-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.46
Rot. Bonds4

About 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide

2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 83620150) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID83620150
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESCc1nc(CCNC(=O)C(C)N)cs1
InChIInChI=1S/C9H15N3OS/c1-6(10)9(13)11-4-3-8-5-14-7(2)12-8/h5-6H,3-4,10H2,1-2H3,(H,11,13)
InChIKeyVCRIKUFQYSALOM-UHFFFAOYSA-N
XLogP0.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106047524
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
2-carbamothioyl-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 114139132
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pent-4-enamide
CID 106047514
2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 120669527
2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620151
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119841419
2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoic acid
CID 106035939
1-[4-(1-aminoethyl)phenyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 106049607
(2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 35343158
2-hydroxy-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 106509698
2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 45148684

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide (CID 83620150) is 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide is Cc1nc(CCNC(=O)C(C)N)cs1.
What is the InChIKey of 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is VCRIKUFQYSALOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(10)9(13)11-4-3-8-5-14-7(2)12-8/h5-6H,3-4,10H2,1-2H3,(H,11,13).
What are the key properties of 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide?
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 213.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 83620150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).