2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide

C22H24N4O2S2 — CID 138701461

IUPAC2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cccnc2)cc1)c1csc(NS(=O)C2CCC2)n1
InChIInChI=1S/C22H24N4O2S2/c1-22(2,19-14-29-21(25-19)26-30(28)18-6-3-7-18)20(27)24-17-10-8-15(9-11-17)16-5-4-12-23-13-16/h4-5,8-14,18H,3,6-7H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyZHWRFHQIFYNMHA-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.75
Rot. Bonds7

About 2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide

2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide (PubChem CID 138701461) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide
PubChem CID138701461
Molecular FormulaC22H24N4O2S2
Molecular Weight440.59 g/mol
Exact Mass440.13
IUPAC Name2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(-c2cccnc2)cc1)c1csc(NS(=O)C2CCC2)n1
InChIInChI=1S/C22H24N4O2S2/c1-22(2,19-14-29-21(25-19)26-30(28)18-6-3-7-18)20(27)24-17-10-8-15(9-11-17)16-5-4-12-23-13-16/h4-5,8-14,18H,3,6-7H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyZHWRFHQIFYNMHA-UHFFFAOYSA-N
XLogP4.75
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138701389
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-pyridin-3-yl-2-(trifluoromethoxy)phenyl]propanamide
CID 138701158
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[2-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
CID 138701509
N-[4-(6-cyanopyrazin-2-yl)phenyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138701239
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-(6-propoxypyrazin-2-yl)phenyl]propanamide
CID 155733973
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-ethyl-N-[4-(5-fluoro-3-pyridinyl)phenyl]butanamide
CID 138701381
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide
CID 138701429
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide
CID 138701338
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide
CID 138701191
N-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138701333
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-3-methyl-N-(4-pyrimidin-5-ylphenyl)butanamide
CID 138701131
N-[4-(3-cyanophenyl)phenyl]-2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138673714

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide?
The IUPAC name of 2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide (CID 138701461) is 2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide.
What is the SMILES notation for 2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide?
The canonical SMILES for 2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide is CC(C)(C(=O)Nc1ccc(-c2cccnc2)cc1)c1csc(NS(=O)C2CCC2)n1.
What is the InChIKey of 2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide?
The InChIKey is ZHWRFHQIFYNMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c1-22(2,19-14-29-21(25-19)26-30(28)18-6-3-7-18)20(27)24-17-10-8-15(9-11-17)16-5-4-12-23-13-16/h4-5,8-14,18H,3,6-7H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide?
2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide has a molecular weight of 440.59 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide is sourced from PubChem (CID 138701461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).