2-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole

C18H17N3OS2 — CID 40946912

IUPAC2-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
SMILESCOc1cccc(C2=NN(c3nc(C)cs3)[C@H](c3cccs3)C2)c1
InChIInChI=1S/C18H17N3OS2/c1-12-11-24-18(19-12)21-16(17-7-4-8-23-17)10-15(20-21)13-5-3-6-14(9-13)22-2/h3-9,11,16H,10H2,1-2H3/t16-/m0/s1
InChIKeyKTZUFXLCFCRZIJ-INIZCTEOSA-N
MW355.49 g/mol
LogP4.88
Rot. Bonds4

About 2-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole

2-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole (PubChem CID 40946912) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
PubChem CID40946912
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC Name2-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
SMILESCOc1cccc(C2=NN(c3nc(C)cs3)[C@H](c3cccs3)C2)c1
InChIInChI=1S/C18H17N3OS2/c1-12-11-24-18(19-12)21-16(17-7-4-8-23-17)10-15(20-21)13-5-3-6-14(9-13)22-2/h3-9,11,16H,10H2,1-2H3/t16-/m0/s1
InChIKeyKTZUFXLCFCRZIJ-INIZCTEOSA-N
XLogP4.88
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole 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

2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 41009659
2-chloro-1-[5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 66488770
2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 8900436
2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 8900434
4-(4-methoxyphenyl)-2-[(3S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 35413044
2-(5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-benzothiazole
CID 101383994
N-[3-[(3S)-2-(4-methoxyphenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41043587
(3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 124740412
5-(4-methoxyphenyl)-N-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
CID 10905291
4-(2,5-dimethoxyphenyl)-2-(3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl)-1,3-thiazole
CID 45151510
2-(3-bromophenyl)-5-(4-bromophenyl)-3-thiophen-2-yl-3,4-dihydropyrazole
CID 3093187
5-(2-methoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 174592956

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole (CID 40946912) is 2-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole is COc1cccc(C2=NN(c3nc(C)cs3)[C@H](c3cccs3)C2)c1.
What is the InChIKey of 2-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is KTZUFXLCFCRZIJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17N3OS2/c1-12-11-24-18(19-12)21-16(17-7-4-8-23-17)10-15(20-21)13-5-3-6-14(9-13)22-2/h3-9,11,16H,10H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole?
2-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole has a molecular weight of 355.49 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-5-(3-methoxyphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 40946912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).