3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide

C10H15N3O2S — CID 54757315

IUPAC3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide
SMILESCc1nsc(NC(=O)CC(C)C)c1C(N)=O
InChIInChI=1S/C10H15N3O2S/c1-5(2)4-7(14)12-10-8(9(11)15)6(3)13-16-10/h5H,4H2,1-3H3,(H2,11,15)(H,12,14)
InChIKeyMVKCUMPKGCUPIW-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.54
Rot. Bonds4

About 3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide

3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide (PubChem CID 54757315) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide
PubChem CID54757315
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide
SMILESCc1nsc(NC(=O)CC(C)C)c1C(N)=O
InChIInChI=1S/C10H15N3O2S/c1-5(2)4-7(14)12-10-8(9(11)15)6(3)13-16-10/h5H,4H2,1-3H3,(H2,11,15)(H,12,14)
InChIKeyMVKCUMPKGCUPIW-UHFFFAOYSA-N
XLogP1.54
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(3-methylpentanoylamino)-1,2-thiazole-4-carboxylic acid
CID 114873656
5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 81080329
5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 103156202
3-methyl-5-[[2-(propan-2-ylamino)acetyl]amino]-1,2-thiazole-4-carboxylic acid
CID 79402493
5-(3-aminopropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402258
3-methyl-5-[(2-propan-2-yloxyacetyl)amino]-1,2-thiazole-4-carboxylic acid
CID 112602057
5-[(3-amino-3-methylbutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402261
2-(3-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 741163
3-ethyl-5-(propanoylamino)-1,2-thiazole-4-carboxamide
CID 134103425
5-[(4-amino-2-methylbutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 80545102
5-(3-methylbutanoylamino)-3-propan-2-yl-1,2-oxazole-4-carboxamide
CID 15280158
5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401944

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide (CID 54757315) is 3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide is Cc1nsc(NC(=O)CC(C)C)c1C(N)=O.
What is the InChIKey of 3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is MVKCUMPKGCUPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-5(2)4-7(14)12-10-8(9(11)15)6(3)13-16-10/h5H,4H2,1-3H3,(H2,11,15)(H,12,14).
What are the key properties of 3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide?
3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 54757315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).