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

C15H18N2O2S — CID 24712636

IUPAC2-[(3-methylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1cccc(OCc2nc(C(=O)NC(C)C)cs2)c1
InChIInChI=1S/C15H18N2O2S/c1-10(2)16-15(18)13-9-20-14(17-13)8-19-12-6-4-5-11(3)7-12/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyZHCWONFXTBLIHD-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.17
Rot. Bonds5

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

2-[(3-methylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 24712636) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[(3-methylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-methylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID24712636
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[(3-methylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1cccc(OCc2nc(C(=O)NC(C)C)cs2)c1
InChIInChI=1S/C15H18N2O2S/c1-10(2)16-15(18)13-9-20-14(17-13)8-19-12-6-4-5-11(3)7-12/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyZHCWONFXTBLIHD-UHFFFAOYSA-N
XLogP3.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[(4-cyanophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 155754761
2-((4-Chlorophenoxy)methyl)-N-(cyanomethyl)thiazole-4-carboxamide (4b)
CID 127054050
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 17441991
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(3-sulfanylpropyl)thiazole-4-carboxamide
CID 493396
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654
N-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 155543543
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](morpholino)methanone
CID 1472612
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
3-{1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]piperidin-3-yl}-N-(3-methoxybenzyl)propanamide
CID 16190929

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-methylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 24712636) is 2-[(3-methylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-methylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-methylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is Cc1cccc(OCc2nc(C(=O)NC(C)C)cs2)c1.
What is the InChIKey of 2-[(3-methylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZHCWONFXTBLIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(2)16-15(18)13-9-20-14(17-13)8-19-12-6-4-5-11(3)7-12/h4-7,9-10H,8H2,1-3H3,(H,16,18).
What are the key properties of 2-[(3-methylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[(3-methylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24712636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).