N-[4-(2-methoxyphenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C17H18N2O3S — CID 71802921

IUPACN-[4-(2-methoxyphenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1OCC#CCNC(=O)c1sc(C)nc1C
InChIInChI=1S/C17H18N2O3S/c1-12-16(23-13(2)19-12)17(20)18-10-6-7-11-22-15-9-5-4-8-14(15)21-3/h4-5,8-9H,10-11H2,1-3H3,(H,18,20)
InChIKeyGCBZQPMEWIPLKZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.58
Rot. Bonds5

About N-[4-(2-methoxyphenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[4-(2-methoxyphenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 71802921) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[4-(2-methoxyphenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID71802921
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-[4-(2-methoxyphenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1OCC#CCNC(=O)c1sc(C)nc1C
InChIInChI=1S/C17H18N2O3S/c1-12-16(23-13(2)19-12)17(20)18-10-6-7-11-22-15-9-5-4-8-14(15)21-3/h4-5,8-9H,10-11H2,1-3H3,(H,18,20)
InChIKeyGCBZQPMEWIPLKZ-UHFFFAOYSA-N
XLogP2.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-fluorophenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 90574533
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 71803198
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid
CID 69147260
5-bromo-N-[4-(2-methoxyphenoxy)but-2-ynyl]furan-2-carboxamide
CID 71802916
N-[4-(2-methoxyphenoxy)but-2-ynyl]but-2-enamide
CID 91939404
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3,3-dimethylbutanamide
CID 90575523
N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide
CID 90575522
N-[4-(2-fluorophenoxy)but-2-ynyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 90574343
3-cyano-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzamide
CID 71802933
N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 90575671
N-[4-(2-chlorophenoxy)but-2-ynyl]-3,4-dimethoxybenzamide
CID 90574822

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(2-methoxyphenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 71802921) is N-[4-(2-methoxyphenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyphenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(2-methoxyphenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is COc1ccccc1OCC#CCNC(=O)c1sc(C)nc1C.
What is the InChIKey of N-[4-(2-methoxyphenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is GCBZQPMEWIPLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-16(23-13(2)19-12)17(20)18-10-6-7-11-22-15-9-5-4-8-14(15)21-3/h4-5,8-9H,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-[4-(2-methoxyphenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[4-(2-methoxyphenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenoxy)but-2-ynyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71802921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).