1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide

C19H17N5O2S2 — CID 154805217

IUPAC1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCc1nc(-c2ccncc2)cs1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H17N5O2S2/c25-28(26,17-12-21-24(13-17)16-4-2-1-3-5-16)22-11-8-19-23-18(14-27-19)15-6-9-20-10-7-15/h1-7,9-10,12-14,22H,8,11H2
InChIKeyGLVGCRWDSQZUPE-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.91
Rot. Bonds7

About 1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide

1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 154805217) has the molecular formula C19H17N5O2S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID154805217
Molecular FormulaC19H17N5O2S2
Molecular Weight411.51 g/mol
Exact Mass411.08
IUPAC Name1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
SMILESO=S(=O)(NCCc1nc(-c2ccncc2)cs1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H17N5O2S2/c25-28(26,17-12-21-24(13-17)16-4-2-1-3-5-16)22-11-8-19-23-18(14-27-19)15-6-9-20-10-7-15/h1-7,9-10,12-14,22H,8,11H2
InChIKeyGLVGCRWDSQZUPE-UHFFFAOYSA-N
XLogP2.91
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773762
4-ethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317833
N-methyl-2-[4-(1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]ethanamine
CID 81471174
4-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773764
4-methoxy-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317708
2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317740
2,4-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317831
1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride
CID 120716213
1-phenyl-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317790
2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374307
1-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 122567250
N-(pyridin-4-ylmethyl)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 82103434

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide (CID 154805217) is 1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide is O=S(=O)(NCCc1nc(-c2ccncc2)cs1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is GLVGCRWDSQZUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S2/c25-28(26,17-12-21-24(13-17)16-4-2-1-3-5-16)22-11-8-19-23-18(14-27-19)15-6-9-20-10-7-15/h1-7,9-10,12-14,22H,8,11H2.
What are the key properties of 1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide?
1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 411.51 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 154805217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).