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

C10H15N5O2S2 — CID 63944818

IUPAC2-amino-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C10H15N5O2S2/c1-7-9(18-10(11)13-7)19(16,17)15(3)6-8-4-12-14(2)5-8/h4-5H,6H2,1-3H3,(H2,11,13)
InChIKeyWGNFFXZOGXHNKK-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.59
Rot. Bonds4

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

2-amino-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 63944818) has the molecular formula C10H15N5O2S2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 2-amino-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID63944818
Molecular FormulaC10H15N5O2S2
Molecular Weight301.40 g/mol
Exact Mass301.07
IUPAC Name2-amino-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C10H15N5O2S2/c1-7-9(18-10(11)13-7)19(16,17)15(3)6-8-4-12-14(2)5-8/h4-5H,6H2,1-3H3,(H2,11,13)
InChIKeyWGNFFXZOGXHNKK-UHFFFAOYSA-N
XLogP0.59
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 63946400
2-amino-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 63944435
5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22771399
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
3-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
CID 103305507
3-amino-5-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 63322968
2-amino-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61125404
2-amino-N,4-dimethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide
CID 63945596
2-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39794973
4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39623413
2-amino-N-(2-ethoxyethyl)-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 81057986
4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]butane-1-sulfonamide
CID 54951995

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide (CID 63944818) is 2-amino-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)N(C)Cc1cnn(C)c1.
What is the InChIKey of 2-amino-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is WGNFFXZOGXHNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S2/c1-7-9(18-10(11)13-7)19(16,17)15(3)6-8-4-12-14(2)5-8/h4-5H,6H2,1-3H3,(H2,11,13).
What are the key properties of 2-amino-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide?
2-amino-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 301.40 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63944818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).