N-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C13H20N4O2S2 — CID 62146023

IUPACN-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCNc1nc2sccn2c1S(=O)(=O)N(C)CC1CC1
InChIInChI=1S/C13H20N4O2S2/c1-3-6-14-11-12(17-7-8-20-13(17)15-11)21(18,19)16(2)9-10-4-5-10/h7-8,10,14H,3-6,9H2,1-2H3
InChIKeyDCTRUPOUYXWXCP-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.25
Rot. Bonds7

About N-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

N-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62146023) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62146023
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC NameN-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCNc1nc2sccn2c1S(=O)(=O)N(C)CC1CC1
InChIInChI=1S/C13H20N4O2S2/c1-3-6-14-11-12(17-7-8-20-13(17)15-11)21(18,19)16(2)9-10-4-5-10/h7-8,10,14H,3-6,9H2,1-2H3
InChIKeyDCTRUPOUYXWXCP-UHFFFAOYSA-N
XLogP2.25
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide 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-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62146023) is N-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCCNc1nc2sccn2c1S(=O)(=O)N(C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is DCTRUPOUYXWXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-3-6-14-11-12(17-7-8-20-13(17)15-11)21(18,19)16(2)9-10-4-5-10/h7-8,10,14H,3-6,9H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62146023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).