(4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone

C16H16N6OS — CID 126894138

IUPAC(4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(c2ccc3ncncc3c2)CC1
InChIInChI=1S/C16H16N6OS/c1-11-15(24-20-19-11)16(23)22-6-4-21(5-7-22)13-2-3-14-12(8-13)9-17-10-18-14/h2-3,8-10H,4-7H2,1H3
InChIKeySMDYVBXYDXTCDL-UHFFFAOYSA-N
MW340.41 g/mol
LogP1.75
Rot. Bonds2

About (4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone

(4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone (PubChem CID 126894138) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone
PubChem CID126894138
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name(4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(c2ccc3ncncc3c2)CC1
InChIInChI=1S/C16H16N6OS/c1-11-15(24-20-19-11)16(23)22-6-4-21(5-7-22)13-2-3-14-12(8-13)9-17-10-18-14/h2-3,8-10H,4-7H2,1H3
InChIKeySMDYVBXYDXTCDL-UHFFFAOYSA-N
XLogP1.75
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-quinazolin-6-ylpiperazin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 126894181
2-methyl-6-(4-quinazolin-6-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 126894131
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43982987
N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide
CID 126894221
3-(2,2-difluoroethyl)-7-[4-(4-methylthiadiazole-5-carbonyl)piperazin-1-yl]quinazolin-4-one
CID 126897922
[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 121083127
6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]quinazoline
CID 126894296
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 121053966
oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894159
(4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 80661773
2-(oxolan-2-yl)-1-(4-quinazolin-6-ylpiperazin-1-yl)ethanone
CID 126894160
(4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 30543853

Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone (CID 126894138) is (4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone is Cc1nnsc1C(=O)N1CCN(c2ccc3ncncc3c2)CC1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone?
The InChIKey is SMDYVBXYDXTCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c1-11-15(24-20-19-11)16(23)22-6-4-21(5-7-22)13-2-3-14-12(8-13)9-17-10-18-14/h2-3,8-10H,4-7H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone?
(4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone has a molecular weight of 340.41 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-(4-quinazolin-6-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 126894138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).