3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide

C11H17N5O2S2 — CID 105358783

IUPAC3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)c2c(N)nn(C)c2C)cs1
InChIInChI=1S/C11H17N5O2S2/c1-7-10(11(12)14-16(7)4)20(17,18)15(3)5-9-6-19-8(2)13-9/h6H,5H2,1-4H3,(H2,12,14)
InChIKeyJPSYQOAYWCPYND-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.90
Rot. Bonds4

About 3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide

3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 105358783) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
PubChem CID105358783
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC Name3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)c2c(N)nn(C)c2C)cs1
InChIInChI=1S/C11H17N5O2S2/c1-7-10(11(12)14-16(7)4)20(17,18)15(3)5-9-6-19-8(2)13-9/h6H,5H2,1-4H3,(H2,12,14)
InChIKeyJPSYQOAYWCPYND-UHFFFAOYSA-N
XLogP0.90
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 62157082
3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358992
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 47454541
2-(hydroxymethyl)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102749915
3-amino-N-[(3-fluorophenyl)methyl]-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358201
N,4-dimethyl-2-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102753031
3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357885
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766
3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913926
4-(aminomethyl)-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 107091430
N-[(4-aminophenyl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 62061376
3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358755

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide (CID 105358783) is 3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide is Cc1nc(CN(C)S(=O)(=O)c2c(N)nn(C)c2C)cs1.
What is the InChIKey of 3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is JPSYQOAYWCPYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-7-10(11(12)14-16(7)4)20(17,18)15(3)5-9-6-19-8(2)13-9/h6H,5H2,1-4H3,(H2,12,14).
What are the key properties of 3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide?
3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 105358783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).