N-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide

C16H18N2O2S — CID 24712812

IUPACN-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(OCc2nc(C(=O)NC3CC3)cs2)c1C
InChIInChI=1S/C16H18N2O2S/c1-10-4-3-5-14(11(10)2)20-8-15-18-13(9-21-15)16(19)17-12-6-7-12/h3-5,9,12H,6-8H2,1-2H3,(H,17,19)
InChIKeyCXQYVFCQTDEIHQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.23
Rot. Bonds5

About N-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide

N-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 24712812) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID24712812
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(OCc2nc(C(=O)NC3CC3)cs2)c1C
InChIInChI=1S/C16H18N2O2S/c1-10-4-3-5-14(11(10)2)20-8-15-18-13(9-21-15)16(19)17-12-6-7-12/h3-5,9,12H,6-8H2,1-2H3,(H,17,19)
InChIKeyCXQYVFCQTDEIHQ-UHFFFAOYSA-N
XLogP3.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxo-1lambda6-thiolan-3-yl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 17441991
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
N-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 155543543
2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide
CID 71292775
N-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide
CID 91754897
N-[(3s)-1,1-Dioxidotetrahydrothiophen-3-Yl]-2-[(4-Methylphenoxy)methyl]-1,3-Thiazole-4-Carboxamide
CID 40803889
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 46009264
2-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 46947866
2-[3-[2-[2-(3-Fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 58276311
N-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712420
N-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712465
N-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712620

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 24712812) is N-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide is Cc1cccc(OCc2nc(C(=O)NC3CC3)cs2)c1C.
What is the InChIKey of N-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CXQYVFCQTDEIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-10-4-3-5-14(11(10)2)20-8-15-18-13(9-21-15)16(19)17-12-6-7-12/h3-5,9,12H,6-8H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24712812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).