2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C19H27N3OS — CID 175268698

IUPAC2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCC1(C)CCCC(NC(=O)c2cc3sc(C4CC4)nc3[nH]2)CCC1
InChIInChI=1S/C19H27N3OS/c1-19(2)9-3-5-13(6-4-10-19)20-17(23)14-11-15-16(21-14)22-18(24-15)12-7-8-12/h11-13,21H,3-10H2,1-2H3,(H,20,23)
InChIKeyOYYYPRUXSOKJKH-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.98
Rot. Bonds3

About 2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 175268698) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is 2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID175268698
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCC1(C)CCCC(NC(=O)c2cc3sc(C4CC4)nc3[nH]2)CCC1
InChIInChI=1S/C19H27N3OS/c1-19(2)9-3-5-13(6-4-10-19)20-17(23)14-11-15-16(21-14)22-18(24-15)12-7-8-12/h11-13,21H,3-10H2,1-2H3,(H,20,23)
InChIKeyOYYYPRUXSOKJKH-UHFFFAOYSA-N
XLogP4.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 175268698) is 2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is CC1(C)CCCC(NC(=O)c2cc3sc(C4CC4)nc3[nH]2)CCC1.
What is the InChIKey of 2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is OYYYPRUXSOKJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-19(2)9-3-5-13(6-4-10-19)20-17(23)14-11-15-16(21-14)22-18(24-15)12-7-8-12/h11-13,21H,3-10H2,1-2H3,(H,20,23).
What are the key properties of 2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 345.51 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 175268698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).