5-(butanoylamino)-3-propyl-1,2-thiazole-4-carboxamide

C11H17N3O2S — CID 134096740

IUPAC5-(butanoylamino)-3-propyl-1,2-thiazole-4-carboxamide
SMILESCCCC(=O)Nc1snc(CCC)c1C(N)=O
InChIInChI=1S/C11H17N3O2S/c1-3-5-7-9(10(12)16)11(17-14-7)13-8(15)6-4-2/h3-6H2,1-2H3,(H2,12,16)(H,13,15)
InChIKeyVILKGHVAJTVQIZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.93
Rot. Bonds6

About 5-(butanoylamino)-3-propyl-1,2-thiazole-4-carboxamide

5-(butanoylamino)-3-propyl-1,2-thiazole-4-carboxamide (PubChem CID 134096740) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-(butanoylamino)-3-propyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(butanoylamino)-3-propyl-1,2-thiazole-4-carboxamide
PubChem CID134096740
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name5-(butanoylamino)-3-propyl-1,2-thiazole-4-carboxamide
SMILESCCCC(=O)Nc1snc(CCC)c1C(N)=O
InChIInChI=1S/C11H17N3O2S/c1-3-5-7-9(10(12)16)11(17-14-7)13-8(15)6-4-2/h3-6H2,1-2H3,(H2,12,16)(H,13,15)
InChIKeyVILKGHVAJTVQIZ-UHFFFAOYSA-N
XLogP1.93
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(butanoylamino)-3-propyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(butanoylamino)-3-propyl-1,2-thiazole-4-carboxamide (CID 134096740) is 5-(butanoylamino)-3-propyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(butanoylamino)-3-propyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(butanoylamino)-3-propyl-1,2-thiazole-4-carboxamide is CCCC(=O)Nc1snc(CCC)c1C(N)=O.
What is the InChIKey of 5-(butanoylamino)-3-propyl-1,2-thiazole-4-carboxamide?
The InChIKey is VILKGHVAJTVQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-5-7-9(10(12)16)11(17-14-7)13-8(15)6-4-2/h3-6H2,1-2H3,(H2,12,16)(H,13,15).
What are the key properties of 5-(butanoylamino)-3-propyl-1,2-thiazole-4-carboxamide?
5-(butanoylamino)-3-propyl-1,2-thiazole-4-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butanoylamino)-3-propyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 134096740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).