2-ethyl-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide

C13H22N2OS — CID 48571485

IUPAC2-ethyl-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC(C)CCC(C)C)s1
InChIInChI=1S/C13H22N2OS/c1-5-12-14-8-11(17-12)13(16)15-10(4)7-6-9(2)3/h8-10H,5-7H2,1-4H3,(H,15,16)
InChIKeyDXRASZJGHGDPBL-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.26
Rot. Bonds6

About 2-ethyl-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide

2-ethyl-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 48571485) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-ethyl-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID48571485
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-ethyl-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC(C)CCC(C)C)s1
InChIInChI=1S/C13H22N2OS/c1-5-12-14-8-11(17-12)13(16)15-10(4)7-6-9(2)3/h8-10H,5-7H2,1-4H3,(H,15,16)
InChIKeyDXRASZJGHGDPBL-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide (CID 48571485) is 2-ethyl-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NC(C)CCC(C)C)s1.
What is the InChIKey of 2-ethyl-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is DXRASZJGHGDPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-5-12-14-8-11(17-12)13(16)15-10(4)7-6-9(2)3/h8-10H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 2-ethyl-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide?
2-ethyl-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 254.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48571485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).