2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide

C10H18N4O2S2 — CID 63946600

IUPAC2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCC1CCN(C)C1
InChIInChI=1S/C10H18N4O2S2/c1-7-9(17-10(11)13-7)18(15,16)12-5-8-3-4-14(2)6-8/h8,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyMCCSQQBAEJAKSU-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.26
Rot. Bonds4

About 2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide

2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 63946600) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID63946600
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NCC1CCN(C)C1
InChIInChI=1S/C10H18N4O2S2/c1-7-9(17-10(11)13-7)18(15,16)12-5-8-3-4-14(2)6-8/h8,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyMCCSQQBAEJAKSU-UHFFFAOYSA-N
XLogP0.26
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.26
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-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide (CID 63946600) is 2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NCC1CCN(C)C1.
What is the InChIKey of 2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is MCCSQQBAEJAKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-7-9(17-10(11)13-7)18(15,16)12-5-8-3-4-14(2)6-8/h8,12H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 290.41 g/mol, XLogP of 0.26, 4 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-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63946600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).