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

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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).