N-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide

C11H13N3O3S2 — CID 175777268

IUPACN-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide
SMILESCS(=O)(=O)C1(CNC(=O)c2nc3cc[nH]c3s2)CC1
InChIInChI=1S/C11H13N3O3S2/c1-19(16,17)11(3-4-11)6-13-8(15)10-14-7-2-5-12-9(7)18-10/h2,5,12H,3-4,6H2,1H3,(H,13,15)
InChIKeyCQVBMQBOAXNZOT-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.93
Rot. Bonds4

About N-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide

N-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide (PubChem CID 175777268) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide
PubChem CID175777268
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC NameN-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide
SMILESCS(=O)(=O)C1(CNC(=O)c2nc3cc[nH]c3s2)CC1
InChIInChI=1S/C11H13N3O3S2/c1-19(16,17)11(3-4-11)6-13-8(15)10-14-7-2-5-12-9(7)18-10/h2,5,12H,3-4,6H2,1H3,(H,13,15)
InChIKeyCQVBMQBOAXNZOT-UHFFFAOYSA-N
XLogP0.93
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide?
The IUPAC name of N-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide (CID 175777268) is N-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide is CS(=O)(=O)C1(CNC(=O)c2nc3cc[nH]c3s2)CC1.
What is the InChIKey of N-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide?
The InChIKey is CQVBMQBOAXNZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-19(16,17)11(3-4-11)6-13-8(15)10-14-7-2-5-12-9(7)18-10/h2,5,12H,3-4,6H2,1H3,(H,13,15).
What are the key properties of N-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide?
N-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfonylcyclopropyl)methyl]-4H-pyrrolo[3,2-d][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 175777268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).