[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone

C16H20N4OS — CID 27449003

IUPAC[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCNc1snc(C)c1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H20N4OS/c1-12-14(15(17-2)22-18-12)16(21)20-10-8-19(9-11-20)13-6-4-3-5-7-13/h3-7,17H,8-11H2,1-2H3
InChIKeyZXUZCPZTXBSYJM-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.46
Rot. Bonds3

About [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone

[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 27449003) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID27449003
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCNc1snc(C)c1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H20N4OS/c1-12-14(15(17-2)22-18-12)16(21)20-10-8-19(9-11-20)13-6-4-3-5-7-13/h3-7,17H,8-11H2,1-2H3
InChIKeyZXUZCPZTXBSYJM-UHFFFAOYSA-N
XLogP2.46
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 27449294
N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692508
2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 75393963
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 39080600
(4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17193912
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
(2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110648662
(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 18069676
(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 51309247
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]methanone
CID 109104427
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 27449003) is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone is CNc1snc(C)c1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is ZXUZCPZTXBSYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-12-14(15(17-2)22-18-12)16(21)20-10-8-19(9-11-20)13-6-4-3-5-7-13/h3-7,17H,8-11H2,1-2H3.
What are the key properties of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 316.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 27449003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).