N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide

C16H20N4OS — CID 53160987

IUPACN,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C16H20N4OS/c1-18(2)15(21)14-12-22-16(17-14)20-10-8-19(9-11-20)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyDIEZOKTVBKOQLB-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.17
Rot. Bonds3

About N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide

N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 53160987) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID53160987
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C16H20N4OS/c1-18(2)15(21)14-12-22-16(17-14)20-10-8-19(9-11-20)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyDIEZOKTVBKOQLB-UHFFFAOYSA-N
XLogP2.17
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 118778045
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 71840355
2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53200928
2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 80567491
N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 71840415
tert-butyl 4-[4-(dimethylcarbamoyl)-1,3-thiazol-2-yl]-1,4-diazepane-1-carboxylate
CID 69363856
N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161069
2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 80568894
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80567945
2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568443
1-[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
CID 64544015
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 71840401

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide (CID 53160987) is N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide is CN(C)C(=O)c1csc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DIEZOKTVBKOQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-18(2)15(21)14-12-22-16(17-14)20-10-8-19(9-11-20)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide?
N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53160987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).