N-[3-(2-methylpropoxy)phenyl]-1,2-thiazole-5-carboxamide

C14H16N2O2S — CID 154845293

IUPACN-[3-(2-methylpropoxy)phenyl]-1,2-thiazole-5-carboxamide
SMILESCC(C)COc1cccc(NC(=O)c2ccns2)c1
InChIInChI=1S/C14H16N2O2S/c1-10(2)9-18-12-5-3-4-11(8-12)16-14(17)13-6-7-15-19-13/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyMDVSINMUPLMGJI-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.43
Rot. Bonds5

About N-[3-(2-methylpropoxy)phenyl]-1,2-thiazole-5-carboxamide

N-[3-(2-methylpropoxy)phenyl]-1,2-thiazole-5-carboxamide (PubChem CID 154845293) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)phenyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)phenyl]-1,2-thiazole-5-carboxamide
PubChem CID154845293
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[3-(2-methylpropoxy)phenyl]-1,2-thiazole-5-carboxamide
SMILESCC(C)COc1cccc(NC(=O)c2ccns2)c1
InChIInChI=1S/C14H16N2O2S/c1-10(2)9-18-12-5-3-4-11(8-12)16-14(17)13-6-7-15-19-13/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyMDVSINMUPLMGJI-UHFFFAOYSA-N
XLogP3.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079565
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
2-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119714907
1-amino-N-[3-(2-methylpropoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119714874
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040
2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284740
(2S)-2-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119284742
4-(2-methylpropoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123566
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropoxy)phenyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of N-[3-(2-methylpropoxy)phenyl]-1,2-thiazole-5-carboxamide (CID 154845293) is N-[3-(2-methylpropoxy)phenyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropoxy)phenyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(2-methylpropoxy)phenyl]-1,2-thiazole-5-carboxamide is CC(C)COc1cccc(NC(=O)c2ccns2)c1.
What is the InChIKey of N-[3-(2-methylpropoxy)phenyl]-1,2-thiazole-5-carboxamide?
The InChIKey is MDVSINMUPLMGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10(2)9-18-12-5-3-4-11(8-12)16-14(17)13-6-7-15-19-13/h3-8,10H,9H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(2-methylpropoxy)phenyl]-1,2-thiazole-5-carboxamide?
N-[3-(2-methylpropoxy)phenyl]-1,2-thiazole-5-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)phenyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 154845293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).