N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine

C17H21N3S — CID 107127896

IUPACN-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine
SMILESc1ccc2c(c1)CCC(c1nnc(CCNC3CC3)s1)C2
InChIInChI=1S/C17H21N3S/c1-2-4-13-11-14(6-5-12(13)3-1)17-20-19-16(21-17)9-10-18-15-7-8-15/h1-4,14-15,18H,5-11H2
InChIKeyFMKBJDNNLDYBNL-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.11
Rot. Bonds5

About N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine

N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine (PubChem CID 107127896) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine
PubChem CID107127896
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine
SMILESc1ccc2c(c1)CCC(c1nnc(CCNC3CC3)s1)C2
InChIInChI=1S/C17H21N3S/c1-2-4-13-11-14(6-5-12(13)3-1)17-20-19-16(21-17)9-10-18-15-7-8-15/h1-4,14-15,18H,5-11H2
InChIKeyFMKBJDNNLDYBNL-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine (CID 107127896) is N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine is c1ccc2c(c1)CCC(c1nnc(CCNC3CC3)s1)C2.
What is the InChIKey of N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is FMKBJDNNLDYBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-2-4-13-11-14(6-5-12(13)3-1)17-20-19-16(21-17)9-10-18-15-7-8-15/h1-4,14-15,18H,5-11H2.
What are the key properties of N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 299.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 107127896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).