3-chloro-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide

C12H12ClN5O3S2 — CID 75396393

IUPAC3-chloro-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide
SMILESCOCc1csc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)n1
InChIInChI=1S/C12H12ClN5O3S2/c1-7-10(13)11-14-3-9(4-18(11)16-7)23(19,20)17-12-15-8(5-21-2)6-22-12/h3-4,6H,5H2,1-2H3,(H,15,17)
InChIKeyDFPHIASFDTUGGW-UHFFFAOYSA-N
MW373.85 g/mol
LogP2.09
Rot. Bonds5

About 3-chloro-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide

3-chloro-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide (PubChem CID 75396393) has the molecular formula C12H12ClN5O3S2 and a molecular weight of 373.85 g/mol. Its IUPAC name is 3-chloro-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide
PubChem CID75396393
Molecular FormulaC12H12ClN5O3S2
Molecular Weight373.85 g/mol
Exact Mass373.01
IUPAC Name3-chloro-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide
SMILESCOCc1csc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)n1
InChIInChI=1S/C12H12ClN5O3S2/c1-7-10(13)11-14-3-9(4-18(11)16-7)23(19,20)17-12-15-8(5-21-2)6-22-12/h3-4,6H,5H2,1-2H3,(H,15,17)
InChIKeyDFPHIASFDTUGGW-UHFFFAOYSA-N
XLogP2.09
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide?
The IUPAC name of 3-chloro-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide (CID 75396393) is 3-chloro-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide?
The canonical SMILES for 3-chloro-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide is COCc1csc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)n1.
What is the InChIKey of 3-chloro-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide?
The InChIKey is DFPHIASFDTUGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O3S2/c1-7-10(13)11-14-3-9(4-18(11)16-7)23(19,20)17-12-15-8(5-21-2)6-22-12/h3-4,6H,5H2,1-2H3,(H,15,17).
What are the key properties of 3-chloro-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide?
3-chloro-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide has a molecular weight of 373.85 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 75396393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).