N-cyclopropyl-N-(4-ethylcyclohexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C19H30N2O2S — CID 55594287

IUPACN-cyclopropyl-N-(4-ethylcyclohexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCC1CCC(N(C(=O)C2CSC3(C)CCC(=O)N23)C2CC2)CC1
InChIInChI=1S/C19H30N2O2S/c1-3-13-4-6-14(7-5-13)20(15-8-9-15)18(23)16-12-24-19(2)11-10-17(22)21(16)19/h13-16H,3-12H2,1-2H3
InChIKeyKFDGEVGFBNOKKN-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.40
Rot. Bonds4

About N-cyclopropyl-N-(4-ethylcyclohexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

N-cyclopropyl-N-(4-ethylcyclohexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 55594287) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-ethylcyclohexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-ethylcyclohexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID55594287
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC NameN-cyclopropyl-N-(4-ethylcyclohexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCC1CCC(N(C(=O)C2CSC3(C)CCC(=O)N23)C2CC2)CC1
InChIInChI=1S/C19H30N2O2S/c1-3-13-4-6-14(7-5-13)20(15-8-9-15)18(23)16-12-24-19(2)11-10-17(22)21(16)19/h13-16H,3-12H2,1-2H3
InChIKeyKFDGEVGFBNOKKN-UHFFFAOYSA-N
XLogP3.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-ethylcyclohexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(4-ethylcyclohexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 55594287) is N-cyclopropyl-N-(4-ethylcyclohexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(4-ethylcyclohexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(4-ethylcyclohexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CCC1CCC(N(C(=O)C2CSC3(C)CCC(=O)N23)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-(4-ethylcyclohexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is KFDGEVGFBNOKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-3-13-4-6-14(7-5-13)20(15-8-9-15)18(23)16-12-24-19(2)11-10-17(22)21(16)19/h13-16H,3-12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(4-ethylcyclohexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
N-cyclopropyl-N-(4-ethylcyclohexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 350.53 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-ethylcyclohexyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 55594287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).