4-(2,5-dichlorophenyl)-N-(4-methoxyphenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine

C21H21Cl2N3OS — CID 44530378

IUPAC4-(2,5-dichlorophenyl)-N-(4-methoxyphenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(N(c2nc(-c3cc(Cl)ccc3Cl)cs2)C2CCNCC2)cc1
InChIInChI=1S/C21H21Cl2N3OS/c1-27-17-5-3-15(4-6-17)26(16-8-10-24-11-9-16)21-25-20(13-28-21)18-12-14(22)2-7-19(18)23/h2-7,12-13,16,24H,8-11H2,1H3
InChIKeyWXACNUOKCQOXIN-UHFFFAOYSA-N
MW434.39 g/mol
LogP6.02
Rot. Bonds5

About 4-(2,5-dichlorophenyl)-N-(4-methoxyphenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine

4-(2,5-dichlorophenyl)-N-(4-methoxyphenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine (PubChem CID 44530378) has the molecular formula C21H21Cl2N3OS and a molecular weight of 434.39 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-N-(4-methoxyphenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-N-(4-methoxyphenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine
PubChem CID44530378
Molecular FormulaC21H21Cl2N3OS
Molecular Weight434.39 g/mol
Exact Mass433.08
IUPAC Name4-(2,5-dichlorophenyl)-N-(4-methoxyphenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(N(c2nc(-c3cc(Cl)ccc3Cl)cs2)C2CCNCC2)cc1
InChIInChI=1S/C21H21Cl2N3OS/c1-27-17-5-3-15(4-6-17)26(16-8-10-24-11-9-16)21-25-20(13-28-21)18-12-14(22)2-7-19(18)23/h2-7,12-13,16,24H,8-11H2,1H3
InChIKeyWXACNUOKCQOXIN-UHFFFAOYSA-N
XLogP6.02
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.39
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-N-(4-methoxyphenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,5-dichlorophenyl)-N-(4-methoxyphenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine (CID 44530378) is 4-(2,5-dichlorophenyl)-N-(4-methoxyphenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-N-(4-methoxyphenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,5-dichlorophenyl)-N-(4-methoxyphenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine is COc1ccc(N(c2nc(-c3cc(Cl)ccc3Cl)cs2)C2CCNCC2)cc1.
What is the InChIKey of 4-(2,5-dichlorophenyl)-N-(4-methoxyphenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine?
The InChIKey is WXACNUOKCQOXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3OS/c1-27-17-5-3-15(4-6-17)26(16-8-10-24-11-9-16)21-25-20(13-28-21)18-12-14(22)2-7-19(18)23/h2-7,12-13,16,24H,8-11H2,1H3.
What are the key properties of 4-(2,5-dichlorophenyl)-N-(4-methoxyphenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine?
4-(2,5-dichlorophenyl)-N-(4-methoxyphenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine has a molecular weight of 434.39 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)-N-(4-methoxyphenyl)-N-piperidin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 44530378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).