3,5-dimethyl-1-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide

C16H20N6O2S2 — CID 131943815

IUPAC3,5-dimethyl-1-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)NCc1csc(-c2cnccn2)n1
InChIInChI=1S/C16H20N6O2S2/c1-10(2)22-12(4)15(11(3)21-22)26(23,24)19-7-13-9-25-16(20-13)14-8-17-5-6-18-14/h5-6,8-10,19H,7H2,1-4H3
InChIKeyQGMSKZOSVMQRKY-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.47
Rot. Bonds6

About 3,5-dimethyl-1-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide

3,5-dimethyl-1-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 131943815) has the molecular formula C16H20N6O2S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
PubChem CID131943815
Molecular FormulaC16H20N6O2S2
Molecular Weight392.51 g/mol
Exact Mass392.11
IUPAC Name3,5-dimethyl-1-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1S(=O)(=O)NCc1csc(-c2cnccn2)n1
InChIInChI=1S/C16H20N6O2S2/c1-10(2)22-12(4)15(11(3)21-22)26(23,24)19-7-13-9-25-16(20-13)14-8-17-5-6-18-14/h5-6,8-10,19H,7H2,1-4H3
InChIKeyQGMSKZOSVMQRKY-UHFFFAOYSA-N
XLogP2.47
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide (CID 131943815) is 3,5-dimethyl-1-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide is Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCc1csc(-c2cnccn2)n1.
What is the InChIKey of 3,5-dimethyl-1-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is QGMSKZOSVMQRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S2/c1-10(2)22-12(4)15(11(3)21-22)26(23,24)19-7-13-9-25-16(20-13)14-8-17-5-6-18-14/h5-6,8-10,19H,7H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide?
3,5-dimethyl-1-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 392.51 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 131943815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).