2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide

C16H28N2OS — CID 52564128

IUPAC2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(CCC(C)C)CCC(C)C)s1
InChIInChI=1S/C16H28N2OS/c1-11(2)7-9-18(10-8-12(3)4)16(19)15-13(5)17-14(6)20-15/h11-12H,7-10H2,1-6H3
InChIKeyVQMLZSNJWYXYBI-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.29
Rot. Bonds7

About 2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide

2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide (PubChem CID 52564128) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide
PubChem CID52564128
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(CCC(C)C)CCC(C)C)s1
InChIInChI=1S/C16H28N2OS/c1-11(2)7-9-18(10-8-12(3)4)16(19)15-13(5)17-14(6)20-15/h11-12H,7-10H2,1-6H3
InChIKeyVQMLZSNJWYXYBI-UHFFFAOYSA-N
XLogP4.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide (CID 52564128) is 2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(CCC(C)C)CCC(C)C)s1.
What is the InChIKey of 2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VQMLZSNJWYXYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-11(2)7-9-18(10-8-12(3)4)16(19)15-13(5)17-14(6)20-15/h11-12H,7-10H2,1-6H3.
What are the key properties of 2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide has a molecular weight of 296.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N,N-bis(3-methylbutyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 52564128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).