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

C9H12N4S4 — CID 115383643

IUPACN-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CSc2nnc(SC)s2)s1
InChIInChI=1S/C9H12N4S4/c1-3-10-7-11-4-6(16-7)5-15-9-13-12-8(14-2)17-9/h4H,3,5H2,1-2H3,(H,10,11)
InChIKeyONMDXAQOXTVKRE-UHFFFAOYSA-N
MW304.49 g/mol
LogP3.44
Rot. Bonds6

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

N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 115383643) has the molecular formula C9H12N4S4 and a molecular weight of 304.49 g/mol. Its IUPAC name is N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID115383643
Molecular FormulaC9H12N4S4
Molecular Weight304.49 g/mol
Exact Mass303.99
IUPAC NameN-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CSc2nnc(SC)s2)s1
InChIInChI=1S/C9H12N4S4/c1-3-10-7-11-4-6(16-7)5-15-9-13-12-8(14-2)17-9/h4H,3,5H2,1-2H3,(H,10,11)
InChIKeyONMDXAQOXTVKRE-UHFFFAOYSA-N
XLogP3.44
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774235
5-[(2-chloro-1,3-thiazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 119042413
N-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 79773840
N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 113298793
N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 79774889
N-ethyl-5-(2-methylbutylsulfanylmethyl)-1,3-thiazol-2-amine
CID 107756577
5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774044
3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]propan-1-ol
CID 79774435
4-ethyl-3-[[2-(ethylamino)-1,3-thiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 79774994
N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774146
N-propyl-5-(thiophen-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79775172
2-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 47134588

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 115383643) is N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine is CCNc1ncc(CSc2nnc(SC)s2)s1.
What is the InChIKey of N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is ONMDXAQOXTVKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S4/c1-3-10-7-11-4-6(16-7)5-15-9-13-12-8(14-2)17-9/h4H,3,5H2,1-2H3,(H,10,11).
What are the key properties of N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 304.49 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115383643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).