2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole

C11H15N5OS — CID 154583028

IUPAC2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCN(c3cnsn3)CC2)co1
InChIInChI=1S/C11H15N5OS/c1-9-13-10(8-17-9)7-15-2-4-16(5-3-15)11-6-12-18-14-11/h6,8H,2-5,7H2,1H3
InChIKeyNSIWFDWXOBEVQC-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.16
Rot. Bonds3

About 2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole

2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 154583028) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID154583028
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCN(c3cnsn3)CC2)co1
InChIInChI=1S/C11H15N5OS/c1-9-13-10(8-17-9)7-15-2-4-16(5-3-15)11-6-12-18-14-11/h6,8H,2-5,7H2,1H3
InChIKeyNSIWFDWXOBEVQC-UHFFFAOYSA-N
XLogP1.16
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,3-oxazole
CID 154828834
3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,2,5-thiadiazole
CID 154580617
1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 130996437
4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 70728771
4-(1,4-diazepan-1-ylmethyl)-2-methyl-1,3-oxazole
CID 121209349
4-[[4-(2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 155980306
3-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-1,2,5-thiadiazole
CID 154583258
4-[[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole
CID 56906436
(5S)-3-methyl-9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95717355
4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole
CID 70783368
5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 155980999
2-methyl-4-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
CID 126931815

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole (CID 154583028) is 2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole is Cc1nc(CN2CCN(c3cnsn3)CC2)co1.
What is the InChIKey of 2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is NSIWFDWXOBEVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-9-13-10(8-17-9)7-15-2-4-16(5-3-15)11-6-12-18-14-11/h6,8H,2-5,7H2,1H3.
What are the key properties of 2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole?
2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 265.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 154583028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).