5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine

C14H20N4S2 — CID 80606197

IUPAC5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN(Cc2ccsc2)C2CC2)s1
InChIInChI=1S/C14H20N4S2/c1-2-6-15-14-17-16-13(20-14)9-18(12-3-4-12)8-11-5-7-19-10-11/h5,7,10,12H,2-4,6,8-9H2,1H3,(H,15,17)
InChIKeyTZDBJTFRPMXPFB-UHFFFAOYSA-N
MW308.48 g/mol
LogP3.59
Rot. Bonds8

About 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine

5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80606197) has the molecular formula C14H20N4S2 and a molecular weight of 308.48 g/mol. Its IUPAC name is 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80606197
Molecular FormulaC14H20N4S2
Molecular Weight308.48 g/mol
Exact Mass308.11
IUPAC Name5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN(Cc2ccsc2)C2CC2)s1
InChIInChI=1S/C14H20N4S2/c1-2-6-15-14-17-16-13(20-14)9-18(12-3-4-12)8-11-5-7-19-10-11/h5,7,10,12H,2-4,6,8-9H2,1H3,(H,15,17)
InChIKeyTZDBJTFRPMXPFB-UHFFFAOYSA-N
XLogP3.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 80609529
5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606877
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 107556382
5-[[bis(cyclopropylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608516
4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine
CID 114762977
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62259598
N-[[5-[(propan-2-ylamino)methyl]thiophen-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 107556384
5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine
CID 62892730
2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine
CID 80798980
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606575

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 80606197) is 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CN(Cc2ccsc2)C2CC2)s1.
What is the InChIKey of 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is TZDBJTFRPMXPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S2/c1-2-6-15-14-17-16-13(20-14)9-18(12-3-4-12)8-11-5-7-19-10-11/h5,7,10,12H,2-4,6,8-9H2,1H3,(H,15,17).
What are the key properties of 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 308.48 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).