2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide

C12H17N3O2S — CID 53158448

IUPAC2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1csc(C(=O)NC2CC2)n1
InChIInChI=1S/C12H17N3O2S/c1-3-15(4-2)12(17)9-7-18-11(14-9)10(16)13-8-5-6-8/h7-8H,3-6H2,1-2H3,(H,13,16)
InChIKeyRBYLPUOZTSPMLB-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.52
Rot. Bonds5

About 2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide

2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide (PubChem CID 53158448) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide
PubChem CID53158448
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1csc(C(=O)NC2CC2)n1
InChIInChI=1S/C12H17N3O2S/c1-3-15(4-2)12(17)9-7-18-11(14-9)10(16)13-8-5-6-8/h7-8H,3-6H2,1-2H3,(H,13,16)
InChIKeyRBYLPUOZTSPMLB-UHFFFAOYSA-N
XLogP1.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide
CID 53158467
4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158336
2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158485
2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697211
ethyl 4-[(4-ethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697832
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697089
2-[3-(cyclopropylamino)propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696775
ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 107400437
4-[(1-oxothian-4-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104893066
1-N-cyclopropyl-3-N,3-N-diethyl-5-methylbenzene-1,3-dicarboxamide
CID 91483552
ethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698092
N,N-diethyl-2-formyl-1,3-thiazole-4-carboxamide
CID 121307722

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide (CID 53158448) is 2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide is CCN(CC)C(=O)c1csc(C(=O)NC2CC2)n1.
What is the InChIKey of 2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide?
The InChIKey is RBYLPUOZTSPMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-15(4-2)12(17)9-7-18-11(14-9)10(16)13-8-5-6-8/h7-8H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide?
2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide is sourced from PubChem (CID 53158448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).