5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine

C7H8N4S3 — CID 79774988

IUPAC5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCc1nnc(SCc2cnc(N)s2)s1
InChIInChI=1S/C7H8N4S3/c1-4-10-11-7(13-4)12-3-5-2-9-6(8)14-5/h2H,3H2,1H3,(H2,8,9)
InChIKeyGBIVEFSSWMZTLY-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.18
Rot. Bonds3

About 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine

5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 79774988) has the molecular formula C7H8N4S3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID79774988
Molecular FormulaC7H8N4S3
Molecular Weight244.37 g/mol
Exact Mass243.99
IUPAC Name5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCc1nnc(SCc2cnc(N)s2)s1
InChIInChI=1S/C7H8N4S3/c1-4-10-11-7(13-4)12-3-5-2-9-6(8)14-5/h2H,3H2,1H3,(H2,8,9)
InChIKeyGBIVEFSSWMZTLY-UHFFFAOYSA-N
XLogP2.18
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 79775190
5-(pyrimidin-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774047
[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63881700
2-methyl-5-[[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methylsulfanyl]-1,3,4-thiadiazole
CID 2227390
5-(pyridin-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774891
2-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 4069691
4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline
CID 79583319
methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate
CID 79774327
N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide
CID 17052825
[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62465954
6-[(2-methyl-1,3-thiazol-5-yl)methylsulfanyl]pyridin-3-amine
CID 63021346
2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
CID 79764244

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 79774988) is 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine is Cc1nnc(SCc2cnc(N)s2)s1.
What is the InChIKey of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is GBIVEFSSWMZTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S3/c1-4-10-11-7(13-4)12-3-5-2-9-6(8)14-5/h2H,3H2,1H3,(H2,8,9).
What are the key properties of 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 244.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79774988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).