N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C21H24N4O2S2 — CID 56564217

IUPACN-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ccsc2)n1)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C21H24N4O2S2/c26-21(19-16-29-20(23-19)18-4-13-28-15-18)25(14-17-2-5-22-6-3-17)8-1-7-24-9-11-27-12-10-24/h2-6,13,15-16H,1,7-12,14H2
InChIKeyICXNDZXDVNWFLQ-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.63
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 56564217) has the molecular formula C21H24N4O2S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID56564217
Molecular FormulaC21H24N4O2S2
Molecular Weight428.58 g/mol
Exact Mass428.13
IUPAC NameN-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ccsc2)n1)N(CCCN1CCOCC1)Cc1ccncc1
InChIInChI=1S/C21H24N4O2S2/c26-21(19-16-29-20(23-19)18-4-13-28-15-18)25(14-17-2-5-22-6-3-17)8-1-7-24-9-11-27-12-10-24/h2-6,13,15-16H,1,7-12,14H2
InChIKeyICXNDZXDVNWFLQ-UHFFFAOYSA-N
XLogP3.63
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 56536352
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56501664
N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 56536390
N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564590
4-methyl-N-(3-morpholin-4-ylpropyl)-2-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 56536420
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-4-(tetrazol-1-yl)benzamide
CID 56536701
3-methoxy-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 42701708
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 90607241
1-acetyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 56536785
N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 42701086
5-methyl-1-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
CID 56564376
N-(2-morpholin-4-ylethyl)-N-(thiophen-3-ylmethyl)naphthalene-1-carboxamide
CID 42704234

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 56564217) is N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(c1csc(-c2ccsc2)n1)N(CCCN1CCOCC1)Cc1ccncc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ICXNDZXDVNWFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S2/c26-21(19-16-29-20(23-19)18-4-13-28-15-18)25(14-17-2-5-22-6-3-17)8-1-7-24-9-11-27-12-10-24/h2-6,13,15-16H,1,7-12,14H2.
What are the key properties of N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56564217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).