N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C20H18N4OS3 — CID 166187850

IUPACN-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NCCCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C20H18N4OS3/c25-18(10-16-12-28-20(23-16)15-5-9-26-11-15)22-6-1-2-19-24-17(13-27-19)14-3-7-21-8-4-14/h3-5,7-9,11-13H,1-2,6,10H2,(H,22,25)
InChIKeyOOFSREXQULKPQC-UHFFFAOYSA-N
MW426.59 g/mol
LogP4.68
Rot. Bonds8

About N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 166187850) has the molecular formula C20H18N4OS3 and a molecular weight of 426.59 g/mol. Its IUPAC name is N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID166187850
Molecular FormulaC20H18N4OS3
Molecular Weight426.59 g/mol
Exact Mass426.06
IUPAC NameN-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NCCCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C20H18N4OS3/c25-18(10-16-12-28-20(23-16)15-5-9-26-11-15)22-6-1-2-19-24-17(13-27-19)14-3-7-21-8-4-14/h3-5,7-9,11-13H,1-2,6,10H2,(H,22,25)
InChIKeyOOFSREXQULKPQC-UHFFFAOYSA-N
XLogP4.68
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 107300543
2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
CID 120704270
4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119875531
N-[2-(2-methylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18114604
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 119875480
3-(2-aminophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 120612941
3-bromo-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]thiophene-2-carboxamide
CID 56520287
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119875479
1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450030
N-(3-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 115703692
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9399778
2-(4-bromothiophen-2-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 51136003

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 166187850) is N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccsc2)n1)NCCCc1nc(-c2ccncc2)cs1.
What is the InChIKey of N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is OOFSREXQULKPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS3/c25-18(10-16-12-28-20(23-16)15-5-9-26-11-15)22-6-1-2-19-24-17(13-27-19)14-3-7-21-8-4-14/h3-5,7-9,11-13H,1-2,6,10H2,(H,22,25).
What are the key properties of N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 426.59 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 166187850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).