N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide

C20H26N4OS2 — CID 92589855

IUPACN-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide
SMILESCCn1cc(CCC(=O)N[C@H](Cc2ccsc2)c2nc(C)c(C)s2)c(C)n1
InChIInChI=1S/C20H26N4OS2/c1-5-24-11-17(14(3)23-24)6-7-19(25)22-18(10-16-8-9-26-12-16)20-21-13(2)15(4)27-20/h8-9,11-12,18H,5-7,10H2,1-4H3,(H,22,25)/t18-/m1/s1
InChIKeyPMJKAWGWGQWSLV-GOSISDBHSA-N
MW402.59 g/mol
LogP4.38
Rot. Bonds8

About N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide

N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide (PubChem CID 92589855) has the molecular formula C20H26N4OS2 and a molecular weight of 402.59 g/mol. Its IUPAC name is N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide
PubChem CID92589855
Molecular FormulaC20H26N4OS2
Molecular Weight402.59 g/mol
Exact Mass402.15
IUPAC NameN-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide
SMILESCCn1cc(CCC(=O)N[C@H](Cc2ccsc2)c2nc(C)c(C)s2)c(C)n1
InChIInChI=1S/C20H26N4OS2/c1-5-24-11-17(14(3)23-24)6-7-19(25)22-18(10-16-8-9-26-12-16)20-21-13(2)15(4)27-20/h8-9,11-12,18H,5-7,10H2,1-4H3,(H,22,25)/t18-/m1/s1
InChIKeyPMJKAWGWGQWSLV-GOSISDBHSA-N
XLogP4.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.59
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide (CID 92589855) is N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide is CCn1cc(CCC(=O)N[C@H](Cc2ccsc2)c2nc(C)c(C)s2)c(C)n1.
What is the InChIKey of N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide?
The InChIKey is PMJKAWGWGQWSLV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N4OS2/c1-5-24-11-17(14(3)23-24)6-7-19(25)22-18(10-16-8-9-26-12-16)20-21-13(2)15(4)27-20/h8-9,11-12,18H,5-7,10H2,1-4H3,(H,22,25)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide?
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide has a molecular weight of 402.59 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 92589855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).