N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

C16H21N3O2S — CID 35412502

IUPACN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N[C@H](C)c1cc(C)ccc1OC
InChIInChI=1S/C16H21N3O2S/c1-9-6-7-13(21-5)12(8-9)10(2)18-15(20)14-11(3)19-22-16(14)17-4/h6-8,10,17H,1-5H3,(H,18,20)/t10-/m1/s1
InChIKeyPCMUCQCPVPXNKZ-SNVBAGLBSA-N
MW319.43 g/mol
LogP3.30
Rot. Bonds5

About N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (PubChem CID 35412502) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
PubChem CID35412502
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)N[C@H](C)c1cc(C)ccc1OC
InChIInChI=1S/C16H21N3O2S/c1-9-6-7-13(21-5)12(8-9)10(2)18-15(20)14-11(3)19-22-16(14)17-4/h6-8,10,17H,1-5H3,(H,18,20)/t10-/m1/s1
InChIKeyPCMUCQCPVPXNKZ-SNVBAGLBSA-N
XLogP3.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 42896418
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
5-[(2-methoxy-5-methylbenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869940
5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 103803276
4-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide
CID 51212432
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide
CID 9262198
2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212285
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (CID 35412502) is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)N[C@H](C)c1cc(C)ccc1OC.
What is the InChIKey of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is PCMUCQCPVPXNKZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-9-6-7-13(21-5)12(8-9)10(2)18-15(20)14-11(3)19-22-16(14)17-4/h6-8,10,17H,1-5H3,(H,18,20)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 35412502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).