2-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide

C12H22N4O2S2 — CID 63944641

IUPAC2-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C12H22N4O2S2/c1-9(8-16-5-3-4-6-16)7-14-20(17,18)11-10(2)15-12(13)19-11/h9,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyMFCOWNQRUGPBEM-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.04
Rot. Bonds6

About 2-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide

2-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide (PubChem CID 63944641) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
PubChem CID63944641
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name2-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C12H22N4O2S2/c1-9(8-16-5-3-4-6-16)7-14-20(17,18)11-10(2)15-12(13)19-11/h9,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyMFCOWNQRUGPBEM-UHFFFAOYSA-N
XLogP1.04
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide (CID 63944641) is 2-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NCC(C)CN1CCCC1.
What is the InChIKey of 2-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is MFCOWNQRUGPBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-9(8-16-5-3-4-6-16)7-14-20(17,18)11-10(2)15-12(13)19-11/h9,14H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 2-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 318.47 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63944641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).