N-(2-cyanophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide

C19H23N5OS — CID 155542851

IUPACN-(2-cyanophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C19H23N5OS/c1-13(2)17-16(18(25)21-15-7-5-4-6-14(15)12-20)22-19(26-17)24-10-8-23(3)9-11-24/h4-7,13H,8-11H2,1-3H3,(H,21,25)
InChIKeyWSGZTLQEJWVJLW-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.14
Rot. Bonds4

About N-(2-cyanophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide

N-(2-cyanophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 155542851) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID155542851
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-(2-cyanophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C19H23N5OS/c1-13(2)17-16(18(25)21-15-7-5-4-6-14(15)12-20)22-19(26-17)24-10-8-23(3)9-11-24/h4-7,13H,8-11H2,1-3H3,(H,21,25)
InChIKeyWSGZTLQEJWVJLW-UHFFFAOYSA-N
XLogP3.14
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 155542851) is N-(2-cyanophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is WSGZTLQEJWVJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-13(2)17-16(18(25)21-15-7-5-4-6-14(15)12-20)22-19(26-17)24-10-8-23(3)9-11-24/h4-7,13H,8-11H2,1-3H3,(H,21,25).
What are the key properties of N-(2-cyanophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(2-cyanophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155542851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).