(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide

C21H20N6OS — CID 73346302

IUPAC(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide
SMILESO=C(Nc1cc(-c2ccncc2)[nH]n1)[C@H](Cc1ccccc1)NCc1cncs1
InChIInChI=1S/C21H20N6OS/c28-21(25-20-11-18(26-27-20)16-6-8-22-9-7-16)19(10-15-4-2-1-3-5-15)24-13-17-12-23-14-29-17/h1-9,11-12,14,19,24H,10,13H2,(H2,25,26,27,28)/t19-/m0/s1
InChIKeyIZVBYYWFOMMQCW-IBGZPJMESA-N
MW404.50 g/mol
LogP3.27
Rot. Bonds8

About (2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide

(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide (PubChem CID 73346302) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is (2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide.

Molecular Properties

Compound Name(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide
PubChem CID73346302
Molecular FormulaC21H20N6OS
Molecular Weight404.50 g/mol
Exact Mass404.14
IUPAC Name(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide
SMILESO=C(Nc1cc(-c2ccncc2)[nH]n1)[C@H](Cc1ccccc1)NCc1cncs1
InChIInChI=1S/C21H20N6OS/c28-21(25-20-11-18(26-27-20)16-6-8-22-9-7-16)19(10-15-4-2-1-3-5-15)24-13-17-12-23-14-29-17/h1-9,11-12,14,19,24H,10,13H2,(H2,25,26,27,28)/t19-/m0/s1
InChIKeyIZVBYYWFOMMQCW-IBGZPJMESA-N
XLogP3.27
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(Pyridin-3-Yl)-1,3-Thiazol-5-Yl]-2,7-Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One
CID 135567071
(2S)-3-phenyl-N-[3-(1H-pyrazol-4-yl)phenyl]-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67495836
(2S)-N-(3-(1H-pyrazol-3-yl)phenyl)-3-phenyl-2-(thiazol-4-ylmethylamino)propanamide
CID 67496810
(2S)-3-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497439
(2S)-N-[5-[2-(methylamino)-4-pyridinyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 69641837
4-(4-methylpiperazin-1-yl)-N-[5-[4-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]benzamide
CID 71658864
4-Phenyl-3-[2-(Pyridin-3-Yl)-1,3-Thiazol-5-Yl]-2,7-Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One
CID 135567070
(2S)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)-N-[5-(1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 71449755
(2S)-3-phenyl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 72945364
2-[5-[[(2S)-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanoyl]amino]-3-pyridin-4-ylpyrazol-1-yl]acetic acid
CID 73346305
(2S)-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73349343
(2S)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-3-phenyl-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73353862

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide?
The IUPAC name of (2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide (CID 73346302) is (2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide.
What is the SMILES notation for (2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide?
The canonical SMILES for (2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide is O=C(Nc1cc(-c2ccncc2)[nH]n1)[C@H](Cc1ccccc1)NCc1cncs1.
What is the InChIKey of (2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide?
The InChIKey is IZVBYYWFOMMQCW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20N6OS/c28-21(25-20-11-18(26-27-20)16-6-8-22-9-7-16)19(10-15-4-2-1-3-5-15)24-13-17-12-23-14-29-17/h1-9,11-12,14,19,24H,10,13H2,(H2,25,26,27,28)/t19-/m0/s1.
What are the key properties of (2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide?
(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide has a molecular weight of 404.50 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide is sourced from PubChem (CID 73346302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).