N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide

C21H29N5O2S — CID 53119274

IUPACN-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCN1CCCCCC1)c1csc(-c2ccnc(N3CCOCC3)c2)n1
InChIInChI=1S/C21H29N5O2S/c27-20(23-7-10-25-8-3-1-2-4-9-25)18-16-29-21(24-18)17-5-6-22-19(15-17)26-11-13-28-14-12-26/h5-6,15-16H,1-4,7-14H2,(H,23,27)
InChIKeyYOEZZRDGBLIEFW-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.65
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide

N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 53119274) has the molecular formula C21H29N5O2S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID53119274
Molecular FormulaC21H29N5O2S
Molecular Weight415.56 g/mol
Exact Mass415.20
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCN1CCCCCC1)c1csc(-c2ccnc(N3CCOCC3)c2)n1
InChIInChI=1S/C21H29N5O2S/c27-20(23-7-10-25-8-3-1-2-4-9-25)18-16-29-21(24-18)17-5-6-22-19(15-17)26-11-13-28-14-12-26/h5-6,15-16H,1-4,7-14H2,(H,23,27)
InChIKeyYOEZZRDGBLIEFW-UHFFFAOYSA-N
XLogP2.65
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-butyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119268
N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119200
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
N-(4-fluorophenyl)-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119213
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 95089021
N-[(2,4-dimethoxyphenyl)methyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119281
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53119289
2-(3-chlorophenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 55683273
N-[(5-methylfuran-2-yl)methyl]-2-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036732
N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036751
N-[(2-chlorophenyl)methyl]-2-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036726
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 95089018

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide (CID 53119274) is N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(NCCN1CCCCCC1)c1csc(-c2ccnc(N3CCOCC3)c2)n1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YOEZZRDGBLIEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2S/c27-20(23-7-10-25-8-3-1-2-4-9-25)18-16-29-21(24-18)17-5-6-22-19(15-17)26-11-13-28-14-12-26/h5-6,15-16H,1-4,7-14H2,(H,23,27).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 415.56 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53119274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).