N-[(4-methoxythian-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine

C10H17N3OS2 — CID 172899409

IUPACN-[(4-methoxythian-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOC1(CNc2nc(C)ns2)CCSCC1
InChIInChI=1S/C10H17N3OS2/c1-8-12-9(16-13-8)11-7-10(14-2)3-5-15-6-4-10/h3-7H2,1-2H3,(H,11,12,13)
InChIKeyQXGNDFMVPIUPQV-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.17
Rot. Bonds4

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

N-[(4-methoxythian-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 172899409) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[(4-methoxythian-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(4-methoxythian-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID172899409
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC NameN-[(4-methoxythian-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOC1(CNc2nc(C)ns2)CCSCC1
InChIInChI=1S/C10H17N3OS2/c1-8-12-9(16-13-8)11-7-10(14-2)3-5-15-6-4-10/h3-7H2,1-2H3,(H,11,12,13)
InChIKeyQXGNDFMVPIUPQV-UHFFFAOYSA-N
XLogP2.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxythian-4-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 172899903
N-[(1-aminocyclobutyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 103353974
1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 130619235
[1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 115360758
3-(2-methoxyethyl)-N-[(4-methoxyoxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133399851
N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133459895
1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445540
3-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 104705508
N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 107390179
(4-methoxythian-4-yl)methanamine
CID 66072794
N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267731
N-(2-chloroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273353

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxythian-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(4-methoxythian-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 172899409) is N-[(4-methoxythian-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(4-methoxythian-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(4-methoxythian-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is COC1(CNc2nc(C)ns2)CCSCC1.
What is the InChIKey of N-[(4-methoxythian-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is QXGNDFMVPIUPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-8-12-9(16-13-8)11-7-10(14-2)3-5-15-6-4-10/h3-7H2,1-2H3,(H,11,12,13).
What are the key properties of N-[(4-methoxythian-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[(4-methoxythian-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 259.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxythian-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 172899409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).