2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide

C12H20N2OS — CID 51075868

IUPAC2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1sc(C)nc1C
InChIInChI=1S/C12H20N2OS/c1-5-7-14(8-6-2)12(15)11-9(3)13-10(4)16-11/h5-8H2,1-4H3
InChIKeyLUNKJWDFWBFMIH-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.02
Rot. Bonds5

About 2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide

2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide (PubChem CID 51075868) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide
PubChem CID51075868
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1sc(C)nc1C
InChIInChI=1S/C12H20N2OS/c1-5-7-14(8-6-2)12(15)11-9(3)13-10(4)16-11/h5-8H2,1-4H3
InChIKeyLUNKJWDFWBFMIH-UHFFFAOYSA-N
XLogP3.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.02
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-dipropyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide (CID 51075868) is 2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide is CCCN(CCC)C(=O)c1sc(C)nc1C.
What is the InChIKey of 2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide?
The InChIKey is LUNKJWDFWBFMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-5-7-14(8-6-2)12(15)11-9(3)13-10(4)16-11/h5-8H2,1-4H3.
What are the key properties of 2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N,N-dipropyl-1,3-thiazole-5-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 3.02, 5 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-dipropyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51075868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).