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

C7H13N3OS — CID 43664030

IUPAC3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCOCCCNCc1csnn1
InChIInChI=1S/C7H13N3OS/c1-11-4-2-3-8-5-7-6-12-10-9-7/h6,8H,2-5H2,1H3
InChIKeyBGJABWUGZLQIID-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.66
Rot. Bonds6

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

3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 43664030) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID43664030
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCOCCCNCc1csnn1
InChIInChI=1S/C7H13N3OS/c1-11-4-2-3-8-5-7-6-12-10-9-7/h6,8H,2-5H2,1H3
InChIKeyBGJABWUGZLQIID-UHFFFAOYSA-N
XLogP0.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.66
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-phenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 62380767
3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 63983801
2-butoxy-N-(thiadiazol-4-ylmethyl)ethanamine
CID 61169519
(2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 93257833
3-(thiadiazol-4-ylmethylamino)propanenitrile
CID 43664080
N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide
CID 43664056
N-ethyl-N-[3-(thiadiazol-4-ylmethylamino)propyl]methanesulfonamide
CID 54903680
3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 115589584
N-(thiadiazol-4-ylmethyl)but-2-yn-1-amine
CID 115908801
4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 115652225
N'-butan-2-yl-N'-methyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 115906003
2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663994

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 43664030) is 3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine is COCCCNCc1csnn1.
What is the InChIKey of 3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is BGJABWUGZLQIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/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-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine?
3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 187.27 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 43664030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).