N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide

C21H30N4O2S — CID 56564590

IUPACN-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)c1nc(CC(=O)N(CCCN2CCOCC2)Cc2ccncc2)cs1
InChIInChI=1S/C21H30N4O2S/c1-17(2)21-23-19(16-28-21)14-20(26)25(15-18-4-6-22-7-5-18)9-3-8-24-10-12-27-13-11-24/h4-7,16-17H,3,8-15H2,1-2H3
InChIKeyCGDOLQOBLQPPAX-UHFFFAOYSA-N
MW402.56 g/mol
LogP2.96
Rot. Bonds9

About N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide

N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 56564590) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID56564590
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(C)c1nc(CC(=O)N(CCCN2CCOCC2)Cc2ccncc2)cs1
InChIInChI=1S/C21H30N4O2S/c1-17(2)21-23-19(16-28-21)14-20(26)25(15-18-4-6-22-7-5-18)9-3-8-24-10-12-27-13-11-24/h4-7,16-17H,3,8-15H2,1-2H3
InChIKeyCGDOLQOBLQPPAX-UHFFFAOYSA-N
XLogP2.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56536378
2-(4-tert-butylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564277
N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 56536390
5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 56536352
2-(4-bromophenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 55436315
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 55436392
N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 56564217
3-(2,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 56536360
3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 56536604
N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide
CID 56564245
4-methyl-N-(3-morpholin-4-ylpropyl)-2-propyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 56536420
2-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564495

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 56564590) is N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide is CC(C)c1nc(CC(=O)N(CCCN2CCOCC2)Cc2ccncc2)cs1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is CGDOLQOBLQPPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-17(2)21-23-19(16-28-21)14-20(26)25(15-18-4-6-22-7-5-18)9-3-8-24-10-12-27-13-11-24/h4-7,16-17H,3,8-15H2,1-2H3.
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide?
N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 402.56 g/mol, XLogP of 2.96, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 56564590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).