N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide

C19H26N4OS — CID 119448939

IUPACN-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccc(-c2nc(C(=O)NCCN3CCNCC3)cs2)cc1
InChIInChI=1S/C19H26N4OS/c1-14(2)15-3-5-16(6-4-15)19-22-17(13-25-19)18(24)21-9-12-23-10-7-20-8-11-23/h3-6,13-14,20H,7-12H2,1-2H3,(H,21,24)
InChIKeyKAGVMXALXGCDPE-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.57
Rot. Bonds6

About N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide

N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 119448939) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID119448939
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccc(-c2nc(C(=O)NCCN3CCNCC3)cs2)cc1
InChIInChI=1S/C19H26N4OS/c1-14(2)15-3-5-16(6-4-15)19-22-17(13-25-19)18(24)21-9-12-23-10-7-20-8-11-23/h3-6,13-14,20H,7-12H2,1-2H3,(H,21,24)
InChIKeyKAGVMXALXGCDPE-UHFFFAOYSA-N
XLogP2.57
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119448074
2-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119393747
2-(1,3-benzodioxol-5-yl)-N-(2-piperazin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 119446990
2-(4-nitrophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119393005
N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119448321
2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119394566
N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119393049
2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119392076
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
N-(2-fluoro-3-hydroxypropyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 155969715
ethyl 4-(2-piperazin-1-ylethylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116697783
5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119447808

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide (CID 119448939) is N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide is CC(C)c1ccc(-c2nc(C(=O)NCCN3CCNCC3)cs2)cc1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is KAGVMXALXGCDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-14(2)15-3-5-16(6-4-15)19-22-17(13-25-19)18(24)21-9-12-23-10-7-20-8-11-23/h3-6,13-14,20H,7-12H2,1-2H3,(H,21,24).
What are the key properties of N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119448939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).