(1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide

C20H26N2O2S — CID 125171632

IUPAC(1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCCc1nc(C)c(CNC(=O)[C@@]2(c3ccc(OC)cc3)CC2(C)C)s1
InChIInChI=1S/C20H26N2O2S/c1-6-17-22-13(2)16(25-17)11-21-18(23)20(12-19(20,3)4)14-7-9-15(24-5)10-8-14/h7-10H,6,11-12H2,1-5H3,(H,21,23)/t20-/m0/s1
InChIKeyQFXLHCLPNYUTNQ-FQEVSTJZSA-N
MW358.51 g/mol
LogP4.01
Rot. Bonds6

About (1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide

(1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 125171632) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is (1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID125171632
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name(1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCCc1nc(C)c(CNC(=O)[C@@]2(c3ccc(OC)cc3)CC2(C)C)s1
InChIInChI=1S/C20H26N2O2S/c1-6-17-22-13(2)16(25-17)11-21-18(23)20(12-19(20,3)4)14-7-9-15(24-5)10-8-14/h7-10H,6,11-12H2,1-5H3,(H,21,23)/t20-/m0/s1
InChIKeyQFXLHCLPNYUTNQ-FQEVSTJZSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 99927183
N-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 77087240
(1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 125161826
(1R)-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 125441546
1-(4-methoxyphenyl)-2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
CID 118769650
2-hydroxy-N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 91780378
2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49328580
1-[(4-methoxyphenyl)methyl]-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 90546957
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 121122601
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-7-carboxamide
CID 122570183
[(1S)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone
CID 99927120
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
CID 72879635

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 125171632) is (1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide is CCc1nc(C)c(CNC(=O)[C@@]2(c3ccc(OC)cc3)CC2(C)C)s1.
What is the InChIKey of (1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is QFXLHCLPNYUTNQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-6-17-22-13(2)16(25-17)11-21-18(23)20(12-19(20,3)4)14-7-9-15(24-5)10-8-14/h7-10H,6,11-12H2,1-5H3,(H,21,23)/t20-/m0/s1.
What are the key properties of (1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
(1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 125171632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).