3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C13H24N4OS — CID 103382005

IUPAC3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCCC(C)(C)N(C)c1snc(N)c1C(=O)NC(C)C
InChIInChI=1S/C13H24N4OS/c1-7-13(4,5)17(6)12-9(10(14)16-19-12)11(18)15-8(2)3/h8H,7H2,1-6H3,(H2,14,16)(H,15,18)
InChIKeyIATPMBDQLDHVPZ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.49
Rot. Bonds5

About 3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103382005) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103382005
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCCC(C)(C)N(C)c1snc(N)c1C(=O)NC(C)C
InChIInChI=1S/C13H24N4OS/c1-7-13(4,5)17(6)12-9(10(14)16-19-12)11(18)15-8(2)3/h8H,7H2,1-6H3,(H2,14,16)(H,15,18)
InChIKeyIATPMBDQLDHVPZ-UHFFFAOYSA-N
XLogP2.49
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-(diethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381087
3-amino-5-[methyl(propyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381563
3-amino-5-[cyclopropyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381469
3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380447
3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381391
3-amino-5-[ethyl(2-methoxyethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380467
3-amino-5-[cyclopentylmethyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381902
3-amino-5-[benzyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381363
3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384495
3-amino-5-[(2-ethoxy-2-methylpropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384833
3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380759
3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383675

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103382005) is 3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CCC(C)(C)N(C)c1snc(N)c1C(=O)NC(C)C.
What is the InChIKey of 3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is IATPMBDQLDHVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-7-13(4,5)17(6)12-9(10(14)16-19-12)11(18)15-8(2)3/h8H,7H2,1-6H3,(H2,14,16)(H,15,18).
What are the key properties of 3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).