N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide

C17H22N2O2S — CID 124615855

IUPACN-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csnc1C)[C@H](C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H22N2O2S/c1-5-19(17(20)16-11-22-18-13(16)3)12(2)10-14-6-8-15(21-4)9-7-14/h6-9,11-12H,5,10H2,1-4H3/t12-/m1/s1
InChIKeyTYCLHERCVDPFEW-GFCCVEGCSA-N
MW318.44 g/mol
LogP3.55
Rot. Bonds6

About N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide

N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 124615855) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID124615855
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csnc1C)[C@H](C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H22N2O2S/c1-5-19(17(20)16-11-22-18-13(16)3)12(2)10-14-6-8-15(21-4)9-7-14/h6-9,11-12H,5,10H2,1-4H3/t12-/m1/s1
InChIKeyTYCLHERCVDPFEW-GFCCVEGCSA-N
XLogP3.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2,4-dimethylpyrimidine-5-carboxamide
CID 95147304
N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 95175829
N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 119709145
(3R)-N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 95175385
ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
CID 19872410
propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
CID 54252796
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 72689490
(2S,4S)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620551
2,2,3,3,3-pentafluoro-N-[1-(4-methoxyphenyl)propan-2-yl]-N-propylpropanamide
CID 165362052
3-amino-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119709118
3-(4-acetamidophenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 72689503

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide (CID 124615855) is N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide is CCN(C(=O)c1csnc1C)[C@H](C)Cc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is TYCLHERCVDPFEW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-5-19(17(20)16-11-22-18-13(16)3)12(2)10-14-6-8-15(21-4)9-7-14/h6-9,11-12H,5,10H2,1-4H3/t12-/m1/s1.
What are the key properties of N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide?
N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 124615855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).