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

C10H17N3OS — CID 43664070

IUPAC3-(cyclopropylmethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESc1snnc1CNCCCOCC1CC1
InChIInChI=1S/C10H17N3OS/c1(5-14-7-9-2-3-9)4-11-6-10-8-15-13-12-10/h8-9,11H,1-7H2
InChIKeyMWDCWACLHAXNCU-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.44
Rot. Bonds8

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

3-(cyclopropylmethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 43664070) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID43664070
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-(cyclopropylmethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESc1snnc1CNCCCOCC1CC1
InChIInChI=1S/C10H17N3OS/c1(5-14-7-9-2-3-9)4-11-6-10-8-15-13-12-10/h8-9,11H,1-7H2
InChIKeyMWDCWACLHAXNCU-UHFFFAOYSA-N
XLogP1.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(cyclopropylmethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(thiadiazol-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 115904722
2-methoxy-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663795
(Cyclopropylmethyl)[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663801
(3-Ethoxypropyl)[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663937
(3-Methoxypropyl)[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43664030
3-(2-methylpropoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43664048
3-(Thiadiazol-4-ylmethylamino)propan-1-ol
CID 43664065
3-cyclohexyloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43664071
3-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43664072
3-ethenoxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43664076
3-propan-2-yloxy-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43664078
(2-Ethoxyethyl)[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43664165

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 43664070) is 3-(cyclopropylmethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine is c1snnc1CNCCCOCC1CC1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is MWDCWACLHAXNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1(5-14-7-9-2-3-9)4-11-6-10-8-15-13-12-10/h8-9,11H,1-7H2.
What are the key properties of 3-(cyclopropylmethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine?
3-(cyclopropylmethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 43664070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).