4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-2-methyl-1,3-thiazole

C12H16N4S2 — CID 75399794

IUPAC4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CSCc2nnc(C)n2C2CC2)cs1
InChIInChI=1S/C12H16N4S2/c1-8-14-15-12(16(8)11-3-4-11)7-17-5-10-6-18-9(2)13-10/h6,11H,3-5,7H2,1-2H3
InChIKeyIFZJZINOOVKPJQ-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.12
Rot. Bonds5

About 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-2-methyl-1,3-thiazole

4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-2-methyl-1,3-thiazole (PubChem CID 75399794) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-2-methyl-1,3-thiazole
PubChem CID75399794
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC Name4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CSCc2nnc(C)n2C2CC2)cs1
InChIInChI=1S/C12H16N4S2/c1-8-14-15-12(16(8)11-3-4-11)7-17-5-10-6-18-9(2)13-10/h6,11H,3-5,7H2,1-2H3
InChIKeyIFZJZINOOVKPJQ-UHFFFAOYSA-N
XLogP3.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-2-methyl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

3-tert-butyl-5-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole
CID 75442527
2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate
CID 7131479
4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 8723527
(3R)-1-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]piperidine-3-carboxylic acid
CID 81118867
2-(3-bromophenyl)-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 8723529
(3S)-3-[[4-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]thiolane 1,1-dioxide
CID 9379777
N-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 83206503
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
N-cyclopentyl-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 16908989
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 65119811
(2S)-1-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]pyrrolidine-2-carboxylic acid
CID 61136706
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate
CID 9475402

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-2-methyl-1,3-thiazole (CID 75399794) is 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-2-methyl-1,3-thiazole is Cc1nc(CSCc2nnc(C)n2C2CC2)cs1.
What is the InChIKey of 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-2-methyl-1,3-thiazole?
The InChIKey is IFZJZINOOVKPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S2/c1-8-14-15-12(16(8)11-3-4-11)7-17-5-10-6-18-9(2)13-10/h6,11H,3-5,7H2,1-2H3.
What are the key properties of 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-2-methyl-1,3-thiazole?
4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-2-methyl-1,3-thiazole has a molecular weight of 280.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanylmethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 75399794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).