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

C19H26N4O2S — CID 119448074

IUPACN-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(C(=O)NCCN3CCNCC3)cs2)cc1
InChIInChI=1S/C19H26N4O2S/c1-14(2)25-16-5-3-15(4-6-16)19-22-17(13-26-19)18(24)21-9-12-23-10-7-20-8-11-23/h3-6,13-14,20H,7-12H2,1-2H3,(H,21,24)
InChIKeyUCUYPEBAZVNWJJ-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.23
Rot. Bonds7

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

N-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 119448074) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID119448074
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(C(=O)NCCN3CCNCC3)cs2)cc1
InChIInChI=1S/C19H26N4O2S/c1-14(2)25-16-5-3-15(4-6-16)19-22-17(13-26-19)18(24)21-9-12-23-10-7-20-8-11-23/h3-6,13-14,20H,7-12H2,1-2H3,(H,21,24)
InChIKeyUCUYPEBAZVNWJJ-UHFFFAOYSA-N
XLogP2.23
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 119448939
piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119402859
2-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119393747
2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453009
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
ethyl 4-(2-piperazin-1-ylethylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116697783
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 94798658
2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71861930
5-methyl-N-(2-piperazin-1-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119446433

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (CID 119448074) is N-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is CC(C)Oc1ccc(-c2nc(C(=O)NCCN3CCNCC3)cs2)cc1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UCUYPEBAZVNWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14(2)25-16-5-3-15(4-6-16)19-22-17(13-26-19)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-yloxyphenyl)-1,3-thiazole-4-carboxamide?
N-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119448074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).