[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C16H23N5O2S — CID 23611492

IUPAC[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCc1cc(C)n(-c2nc(C)c(C(=O)N3CCN(CCO)CC3)s2)n1
InChIInChI=1S/C16H23N5O2S/c1-11-10-12(2)21(18-11)16-17-13(3)14(24-16)15(23)20-6-4-19(5-7-20)8-9-22/h10,22H,4-9H2,1-3H3
InChIKeyMCRJNQHHXXSXCE-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.00
Rot. Bonds4

About [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 23611492) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID23611492
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCc1cc(C)n(-c2nc(C)c(C(=O)N3CCN(CCO)CC3)s2)n1
InChIInChI=1S/C16H23N5O2S/c1-11-10-12(2)21(18-11)16-17-13(3)14(24-16)15(23)20-6-4-19(5-7-20)8-9-22/h10,22H,4-9H2,1-3H3
InChIKeyMCRJNQHHXXSXCE-UHFFFAOYSA-N
XLogP1.00
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 23611492) is [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is Cc1cc(C)n(-c2nc(C)c(C(=O)N3CCN(CCO)CC3)s2)n1.
What is the InChIKey of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is MCRJNQHHXXSXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-11-10-12(2)21(18-11)16-17-13(3)14(24-16)15(23)20-6-4-19(5-7-20)8-9-22/h10,22H,4-9H2,1-3H3.
What are the key properties of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 349.46 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 23611492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).