N-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine

C22H24N2O2S — CID 8850714

IUPACN-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(NC3CCCC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24N2O2S/c1-25-18-11-7-15(8-12-18)20-21(16-9-13-19(26-2)14-10-16)27-22(24-20)23-17-5-3-4-6-17/h7-14,17H,3-6H2,1-2H3,(H,23,24)
InChIKeyPDFZYWVYJYBMQH-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.85
Rot. Bonds6

About N-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine

N-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 8850714) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID8850714
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2nc(NC3CCCC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24N2O2S/c1-25-18-11-7-15(8-12-18)20-21(16-9-13-19(26-2)14-10-16)27-22(24-20)23-17-5-3-4-6-17/h7-14,17H,3-6H2,1-2H3,(H,23,24)
InChIKeyPDFZYWVYJYBMQH-UHFFFAOYSA-N
XLogP5.85
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide
CID 145359464
1-[4-[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenyl]-3-(4-methoxyphenyl)thiourea
CID 25197490
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
N-cyclohexyl-4-[2-(4-iminocyclohexyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 143376475
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxy-2-methylphenyl)benzenesulfinamide
CID 145359450
7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine
CID 91368430
N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225564
N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549533
4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 13015383
4,5-bis(4-methoxyphenyl)-2-methylsulfanyl-1,3-thiazole
CID 13209670

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 8850714) is N-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2nc(NC3CCCC3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is PDFZYWVYJYBMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-25-18-11-7-15(8-12-18)20-21(16-9-13-19(26-2)14-10-16)27-22(24-20)23-17-5-3-4-6-17/h7-14,17H,3-6H2,1-2H3,(H,23,24).
What are the key properties of N-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine?
N-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 380.51 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 8850714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).