2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one

C17H23N5O2S — CID 55792143

IUPAC2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one
SMILESCn1cc(-c2nc(C(=O)N3CCN(C(=O)C(C)(C)C)CC3)cs2)cn1
InChIInChI=1S/C17H23N5O2S/c1-17(2,3)16(24)22-7-5-21(6-8-22)15(23)13-11-25-14(19-13)12-9-18-20(4)10-12/h9-11H,5-8H2,1-4H3
InChIKeyRDAWMIVNUKWVSW-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.87
Rot. Bonds2

About 2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one (PubChem CID 55792143) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one
PubChem CID55792143
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one
SMILESCn1cc(-c2nc(C(=O)N3CCN(C(=O)C(C)(C)C)CC3)cs2)cn1
InChIInChI=1S/C17H23N5O2S/c1-17(2,3)16(24)22-7-5-21(6-8-22)15(23)13-11-25-14(19-13)12-9-18-20(4)10-12/h9-11H,5-8H2,1-4H3
InChIKeyRDAWMIVNUKWVSW-UHFFFAOYSA-N
XLogP1.87
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 78903023
(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 55787641
[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 87002483
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 47047815
2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119187518
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111543015
2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 55790830
4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 126791529
ethyl (3S)-1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate
CID 94010683
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 126789765
4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216233

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one (CID 55792143) is 2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one is Cn1cc(-c2nc(C(=O)N3CCN(C(=O)C(C)(C)C)CC3)cs2)cn1.
What is the InChIKey of 2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one?
The InChIKey is RDAWMIVNUKWVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-17(2,3)16(24)22-7-5-21(6-8-22)15(23)13-11-25-14(19-13)12-9-18-20(4)10-12/h9-11H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one has a molecular weight of 361.47 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 55792143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).