3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine

C7H13N3S2 — CID 63983801

IUPAC3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCSCCCNCc1csnn1
InChIInChI=1S/C7H13N3S2/c1-11-4-2-3-8-5-7-6-12-10-9-7/h6,8H,2-5H2,1H3
InChIKeyYFXBJBCKOHDHQO-UHFFFAOYSA-N
MW203.34 g/mol
LogP1.38
Rot. Bonds6

About 3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine

3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 63983801) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID63983801
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC Name3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCSCCCNCc1csnn1
InChIInChI=1S/C7H13N3S2/c1-11-4-2-3-8-5-7-6-12-10-9-7/h6,8H,2-5H2,1H3
InChIKeyYFXBJBCKOHDHQO-UHFFFAOYSA-N
XLogP1.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43664030
2-butoxy-N-(thiadiazol-4-ylmethyl)ethanamine
CID 61169519
3-(thiadiazol-4-ylmethylamino)propanenitrile
CID 43664080
N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide
CID 43664056
3-phenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 62380767
N-ethyl-N-[3-(thiadiazol-4-ylmethylamino)propyl]methanesulfonamide
CID 54903680
N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine
CID 115654243
N-(thiadiazol-4-ylmethyl)but-2-yn-1-amine
CID 115908801
N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 60961143
3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 63983825
N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 115906003
6-[(3-methylsulfanylpropylamino)methyl]pyridin-3-ol
CID 79794102

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 63983801) is 3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine is CSCCCNCc1csnn1.
What is the InChIKey of 3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is YFXBJBCKOHDHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-11-4-2-3-8-5-7-6-12-10-9-7/h6,8H,2-5H2,1H3.
What are the key properties of 3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 203.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 63983801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).