2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide

C11H19N3OS — CID 66379063

IUPAC2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1csc(CN)n1
InChIInChI=1S/C11H19N3OS/c1-5-11(2,3)14(4)10(15)8-7-16-9(6-12)13-8/h7H,5-6,12H2,1-4H3
InChIKeyWGRAQTYUNLVIJI-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.86
Rot. Bonds4

About 2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 66379063) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID66379063
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1csc(CN)n1
InChIInChI=1S/C11H19N3OS/c1-5-11(2,3)14(4)10(15)8-7-16-9(6-12)13-8/h7H,5-6,12H2,1-4H3
InChIKeyWGRAQTYUNLVIJI-UHFFFAOYSA-N
XLogP1.86
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 79378500
2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66377451
2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-ethylamino]acetic acid
CID 66377881
2-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 102992909
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 79470567
2-(aminomethyl)-N-cyclobutyl-N-methyl-1,3-thiazole-4-carboxamide
CID 115739589
2-(aminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119672604
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119727919
2-(aminomethyl)-N-(4-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66376521
2-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazole-4-carboxamide
CID 79858892
2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylbutanoic acid
CID 79798385
2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 66376837

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide (CID 66379063) is 2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide is CCC(C)(C)N(C)C(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WGRAQTYUNLVIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-5-11(2,3)14(4)10(15)8-7-16-9(6-12)13-8/h7H,5-6,12H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66379063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).