5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole

C14H13N5S2 — CID 133425859

IUPAC5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Sc2nc(C3CC3)n(-c3ccccc3)n2)n1
InChIInChI=1S/C14H13N5S2/c1-9-15-14(21-18-9)20-13-16-12(10-7-8-10)19(17-13)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3
InChIKeyYUWUXLWYOMOVKM-UHFFFAOYSA-N
MW315.43 g/mol
LogP3.46
Rot. Bonds4

About 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole

5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole (PubChem CID 133425859) has the molecular formula C14H13N5S2 and a molecular weight of 315.43 g/mol. Its IUPAC name is 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole
PubChem CID133425859
Molecular FormulaC14H13N5S2
Molecular Weight315.43 g/mol
Exact Mass315.06
IUPAC Name5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Sc2nc(C3CC3)n(-c3ccccc3)n2)n1
InChIInChI=1S/C14H13N5S2/c1-9-15-14(21-18-9)20-13-16-12(10-7-8-10)19(17-13)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3
InChIKeyYUWUXLWYOMOVKM-UHFFFAOYSA-N
XLogP3.46
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole with MolForge

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Related Compounds

2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzoxazole
CID 52673975
2-[1-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyrimidine
CID 126829819
4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133416284
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-5-nitropyridine
CID 133425866
5-cyclopropyl-3-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1-phenyl-1,2,4-triazole
CID 133425867
(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide
CID 8636040
4-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(phenoxymethyl)-1,3-thiazole
CID 55987878
(2S)-N-cyclopropyl-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7420528
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 7420600
5-cyclopropyl-3-(3-methylsulfonyl-2-nitrophenyl)sulfanyl-1-phenyl-1,2,4-triazole
CID 133393146
ethyl N-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]carbamate
CID 7420493
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7420611

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole (CID 133425859) is 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(Sc2nc(C3CC3)n(-c3ccccc3)n2)n1.
What is the InChIKey of 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is YUWUXLWYOMOVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S2/c1-9-15-14(21-18-9)20-13-16-12(10-7-8-10)19(17-13)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3.
What are the key properties of 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole?
5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 315.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 133425859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).