2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide

C10H17N3OS — CID 62789071

IUPAC2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
SMILESCCC(CC)N(C)C(=O)c1csc(N)n1
InChIInChI=1S/C10H17N3OS/c1-4-7(5-2)13(3)9(14)8-6-15-10(11)12-8/h6-7H,4-5H2,1-3H3,(H2,11,12)
InChIKeyCOWCAUKGDPYVKN-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.99
Rot. Bonds4

About 2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide

2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 62789071) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
PubChem CID62789071
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
SMILESCCC(CC)N(C)C(=O)c1csc(N)n1
InChIInChI=1S/C10H17N3OS/c1-4-7(5-2)13(3)9(14)8-6-15-10(11)12-8/h6-7H,4-5H2,1-3H3,(H2,11,12)
InChIKeyCOWCAUKGDPYVKN-UHFFFAOYSA-N
XLogP1.99
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 62788598
2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 55116254
2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 79494174
2-[methyl(pentan-3-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696720
2-amino-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 62788372
1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide
CID 170895769
2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide
CID 62788191
2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 62787415
2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide
CID 62788074
2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 62788080
2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63692953
3-[(2-amino-1,3-thiazole-4-carbonyl)-ethylamino]propanoic acid
CID 62788466

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide (CID 62789071) is 2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide is CCC(CC)N(C)C(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is COWCAUKGDPYVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-7(5-2)13(3)9(14)8-6-15-10(11)12-8/h6-7H,4-5H2,1-3H3,(H2,11,12).
What are the key properties of 2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide?
2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62789071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).