N-butan-2-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide

C19H26N4OS — CID 46056232

IUPACN-butan-2-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1csc(CN2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C19H26N4OS/c1-3-15(2)20-19(24)17-14-25-18(21-17)13-22-9-11-23(12-10-22)16-7-5-4-6-8-16/h4-8,14-15H,3,9-13H2,1-2H3,(H,20,24)
InChIKeyHNXGQZVGBQZZTI-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.99
Rot. Bonds6

About N-butan-2-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide

N-butan-2-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46056232) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID46056232
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-butan-2-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCC(C)NC(=O)c1csc(CN2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C19H26N4OS/c1-3-15(2)20-19(24)17-14-25-18(21-17)13-22-9-11-23(12-10-22)16-7-5-4-6-8-16/h4-8,14-15H,3,9-13H2,1-2H3,(H,20,24)
InChIKeyHNXGQZVGBQZZTI-UHFFFAOYSA-N
XLogP2.99
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-benzylpiperazin-1-yl)methyl]-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 46056114
N-(4-methylphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide
CID 46056237
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 46043725
N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1362793
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 46056147
N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93158707
N-benzyl-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 46162321
N-butan-2-yl-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948151
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 46043730
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
(3aR,6S,6aS)-4-methylsulfonyl-1-[2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carbonyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 57223080

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide (CID 46056232) is N-butan-2-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide is CCC(C)NC(=O)c1csc(CN2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N-butan-2-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HNXGQZVGBQZZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-3-15(2)20-19(24)17-14-25-18(21-17)13-22-9-11-23(12-10-22)16-7-5-4-6-8-16/h4-8,14-15H,3,9-13H2,1-2H3,(H,20,24).
What are the key properties of N-butan-2-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide?
N-butan-2-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46056232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).