N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide

C24H25FN2O4S — CID 67231015

IUPACN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(O)CN(CC2CC2)C(=O)c2ncsc2-c2ccccc2F)cc1OC
InChIInChI=1S/C24H25FN2O4S/c1-30-20-10-9-16(11-21(20)31-2)19(28)13-27(12-15-7-8-15)24(29)22-23(32-14-26-22)17-5-3-4-6-18(17)25/h3-6,9-11,14-15,19,28H,7-8,12-13H2,1-2H3
InChIKeyFCXZXJCHWJZPEB-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.55
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide

N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 67231015) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID67231015
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC NameN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(O)CN(CC2CC2)C(=O)c2ncsc2-c2ccccc2F)cc1OC
InChIInChI=1S/C24H25FN2O4S/c1-30-20-10-9-16(11-21(20)31-2)19(28)13-27(12-15-7-8-15)24(29)22-23(32-14-26-22)17-5-3-4-6-18(17)25/h3-6,9-11,14-15,19,28H,7-8,12-13H2,1-2H3
InChIKeyFCXZXJCHWJZPEB-UHFFFAOYSA-N
XLogP4.55
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2,3-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 67395477
2-amino-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 87383761
N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 67231165
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 90613273
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 110629778
4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene
CID 110629765
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenylthiadiazole-5-carboxamide
CID 45376806
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 597490
(3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-N,N-di(propan-2-yl)propanamide
CID 162405136
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
CID 99903135

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 67231015) is N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is COc1ccc(C(O)CN(CC2CC2)C(=O)c2ncsc2-c2ccccc2F)cc1OC.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FCXZXJCHWJZPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-30-20-10-9-16(11-21(20)31-2)19(28)13-27(12-15-7-8-15)24(29)22-23(32-14-26-22)17-5-3-4-6-18(17)25/h3-6,9-11,14-15,19,28H,7-8,12-13H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 456.54 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67231015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).