5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide

C9H14N2OS — CID 131134612

IUPAC5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCCc1cnc(C(=O)NC(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-4-7-5-10-9(13-7)8(12)11-6(2)3/h5-6H,4H2,1-3H3,(H,11,12)
InChIKeyNELAMGRAEBKERJ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.84
Rot. Bonds3

About 5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide

5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 131134612) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID131134612
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCCc1cnc(C(=O)NC(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-4-7-5-10-9(13-7)8(12)11-6(2)3/h5-6H,4H2,1-3H3,(H,11,12)
InChIKeyNELAMGRAEBKERJ-UHFFFAOYSA-N
XLogP1.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide (CID 131134612) is 5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide is CCc1cnc(C(=O)NC(C)C)s1.
What is the InChIKey of 5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is NELAMGRAEBKERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-4-7-5-10-9(13-7)8(12)11-6(2)3/h5-6H,4H2,1-3H3,(H,11,12).
What are the key properties of 5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide?
5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 198.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 131134612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).