N-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxamide

C8H11N3O2S — CID 16915486

IUPACN-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxamide
SMILESCCC(=O)Nc1nc(C(=O)NC)cs1
InChIInChI=1S/C8H11N3O2S/c1-3-6(12)11-8-10-5(4-14-8)7(13)9-2/h4H,3H2,1-2H3,(H,9,13)(H,10,11,12)
InChIKeyUVDGLBJLQITAQL-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.85
Rot. Bonds3

About N-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxamide

N-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxamide (PubChem CID 16915486) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is N-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxamide
PubChem CID16915486
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC NameN-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxamide
SMILESCCC(=O)Nc1nc(C(=O)NC)cs1
InChIInChI=1S/C8H11N3O2S/c1-3-6(12)11-8-10-5(4-14-8)7(13)9-2/h4H,3H2,1-2H3,(H,9,13)(H,10,11,12)
InChIKeyUVDGLBJLQITAQL-UHFFFAOYSA-N
XLogP0.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-N-methyl-1,3-thiazole-4-carboxamide
CID 42281846
(2R)-N-(4-acetyl-1,3-thiazol-2-yl)-2-aminopropanamide
CID 64556720
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
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]propanamide
CID 14962263
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 14962264
Thia-Net
CID 148100
2-(6-aminohexanoylamino)-N-[4-(methylcarbamoyl)thiazol-2-yl]thiazole-4-carboxamide
CID 479277
2-(6-aminohexanoylamino)-N-[3-(dimethylamino)propyl]thiazole-4-carboxamide
CID 482919
2-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 44565686
2-[(2-methylpropyl)amino]-N-[(2E)-4-methyl-1,3-thiazol-2(3H)-ylidene]-1,3-thiazole-4-carboxamide
CID 49656826
2-(cyclopropylamino)-N-(propan-2-yl)-1,3-thiazole-4-carboxamide
CID 49656855

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxamide (CID 16915486) is N-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxamide is CCC(=O)Nc1nc(C(=O)NC)cs1.
What is the InChIKey of N-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is UVDGLBJLQITAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-3-6(12)11-8-10-5(4-14-8)7(13)9-2/h4H,3H2,1-2H3,(H,9,13)(H,10,11,12).
What are the key properties of N-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxamide?
N-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 213.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propanoylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16915486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).