N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C21H22N4O3S2 — CID 134044739

IUPACN-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C21H22N4O3S2/c26-20(24-21-23-19(15-29-21)17-4-3-11-22-14-17)10-7-16-5-8-18(9-6-16)30(27,28)25-12-1-2-13-25/h3-6,8-9,11,14-15H,1-2,7,10,12-13H2,(H,23,24,26)
InChIKeyPCVZLSXJBPHMDB-UHFFFAOYSA-N
MW442.57 g/mol
LogP3.56
Rot. Bonds7

About N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 134044739) has the molecular formula C21H22N4O3S2 and a molecular weight of 442.57 g/mol. Its IUPAC name is N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID134044739
Molecular FormulaC21H22N4O3S2
Molecular Weight442.57 g/mol
Exact Mass442.11
IUPAC NameN-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C21H22N4O3S2/c26-20(24-21-23-19(15-29-21)17-4-3-11-22-14-17)10-7-16-5-8-18(9-6-16)30(27,28)25-12-1-2-13-25/h3-6,8-9,11,14-15H,1-2,7,10,12-13H2,(H,23,24,26)
InChIKeyPCVZLSXJBPHMDB-UHFFFAOYSA-N
XLogP3.56
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
3-(4-morpholin-4-ylsulfonylphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 5114730
1-(benzenesulfonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 26203036
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55922002
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 23762537
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55722672
3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 8762980
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29369533
N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27700420
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide
CID 110460819
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Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 134044739) is N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is PCVZLSXJBPHMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S2/c26-20(24-21-23-19(15-29-21)17-4-3-11-22-14-17)10-7-16-5-8-18(9-6-16)30(27,28)25-12-1-2-13-25/h3-6,8-9,11,14-15H,1-2,7,10,12-13H2,(H,23,24,26).
What are the key properties of N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 442.57 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 134044739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).