[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone

C17H27N5OS — CID 71973410

IUPAC[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)n(C)n1
InChIInChI=1S/C17H27N5OS/c1-12(2)13-10-14(20(5)19-13)15(23)21-6-8-22(9-7-21)16-18-11-17(3,4)24-16/h10,12H,6-9,11H2,1-5H3
InChIKeyNMQNDHLPUWYEDH-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.18
Rot. Bonds2

About [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone

[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 71973410) has the molecular formula C17H27N5OS and a molecular weight of 349.50 g/mol. Its IUPAC name is [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
PubChem CID71973410
Molecular FormulaC17H27N5OS
Molecular Weight349.50 g/mol
Exact Mass349.19
IUPAC Name[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)n(C)n1
InChIInChI=1S/C17H27N5OS/c1-12(2)13-10-14(20(5)19-13)15(23)21-6-8-22(9-7-21)16-18-11-17(3,4)24-16/h10,12H,6-9,11H2,1-5H3
InChIKeyNMQNDHLPUWYEDH-UHFFFAOYSA-N
XLogP2.18
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone (CID 71973410) is [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone is CC(C)c1cc(C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)n(C)n1.
What is the InChIKey of [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is NMQNDHLPUWYEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5OS/c1-12(2)13-10-14(20(5)19-13)15(23)21-6-8-22(9-7-21)16-18-11-17(3,4)24-16/h10,12H,6-9,11H2,1-5H3.
What are the key properties of [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone?
[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 349.50 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 71973410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).