4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide

C20H28N4OS — CID 57199831

IUPAC4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide
SMILESCCCN(CCC)C(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C20H28N4OS/c1-3-10-23(11-4-2)20(25)24-14-12-22(13-15-24)19-21-18(16-26-19)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3
InChIKeyOEVVVNDIFHWTBC-UHFFFAOYSA-N
MW372.54 g/mol
LogP4.17
Rot. Bonds6

About 4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide

4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide (PubChem CID 57199831) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide
PubChem CID57199831
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide
SMILESCCCN(CCC)C(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C20H28N4OS/c1-3-10-23(11-4-2)20(25)24-14-12-22(13-15-24)19-21-18(16-26-19)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3
InChIKeyOEVVVNDIFHWTBC-UHFFFAOYSA-N
XLogP4.17
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
4-phenyl-2-(4-prop-1-en-2-ylpiperazin-1-yl)-1,3-thiazole
CID 163418785
2-(4-ethylpiperazin-1-yl)-4-phenyl-1,3-thiazole
CID 102103813
N-benzyl-4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 3223682
(3,4-difluorophenyl)-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 1447469
1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 126758633
1-[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
CID 46907737
ethyl 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 676265
N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 133278132
4-(4-phenyl-1,3-thiazol-2-yl)-N-pyridazin-3-ylpiperazine-1-carboxamide
CID 68779561
2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 82167588
4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylic acid
CID 68778558

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide (CID 57199831) is 4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide is CCCN(CCC)C(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide?
The InChIKey is OEVVVNDIFHWTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-3-10-23(11-4-2)20(25)24-14-12-22(13-15-24)19-21-18(16-26-19)17-8-6-5-7-9-17/h5-9,16H,3-4,10-15H2,1-2H3.
What are the key properties of 4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide?
4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyl-1,3-thiazol-2-yl)-N,N-dipropylpiperazine-1-carboxamide is sourced from PubChem (CID 57199831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).