N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide

C20H26N4O3S — CID 86895877

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
SMILESCOc1ncccc1CNC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1
InChIInChI=1S/C20H26N4O3S/c1-27-18-15(6-5-9-21-18)14-23-16(25)12-20(7-3-2-4-8-20)13-17(26)24-19-22-10-11-28-19/h5-6,9-11H,2-4,7-8,12-14H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyJMENMTRWCIXVCH-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.53
Rot. Bonds8

About N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide

N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide (PubChem CID 86895877) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
PubChem CID86895877
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
SMILESCOc1ncccc1CNC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1
InChIInChI=1S/C20H26N4O3S/c1-27-18-15(6-5-9-21-18)14-23-16(25)12-20(7-3-2-4-8-20)13-17(26)24-19-22-10-11-28-19/h5-6,9-11H,2-4,7-8,12-14H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyJMENMTRWCIXVCH-UHFFFAOYSA-N
XLogP3.53
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 120827381
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86897048
2-[1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86896978
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86896980
2-[1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86896977
2-[1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86945653
N-[(2-ethoxy-3-pyridinyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111520352
2-[1-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclopentyl]acetic acid
CID 61283476
2-[1-[2-[ethyl(1-pyridin-3-ylethyl)amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86958544
(3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
CID 38535821
2-[1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 86897035
4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]butanamide
CID 79204552

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide (CID 86895877) is N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide is COc1ncccc1CNC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide?
The InChIKey is JMENMTRWCIXVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-27-18-15(6-5-9-21-18)14-23-16(25)12-20(7-3-2-4-8-20)13-17(26)24-19-22-10-11-28-19/h5-6,9-11H,2-4,7-8,12-14H2,1H3,(H,23,25)(H,22,24,26).
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide?
N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 86895877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).