N-cyclopropyl-N-(3-phenylprop-2-enyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine

C17H21N3S — CID 171140356

IUPACN-cyclopropyl-N-(3-phenylprop-2-enyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(N(CC=Cc2ccccc2)C2CC2)s1
InChIInChI=1S/C17H21N3S/c1-13(2)16-18-19-17(21-16)20(15-10-11-15)12-6-9-14-7-4-3-5-8-14/h3-9,13,15H,10-12H2,1-2H3
InChIKeyBOKNQXGMLZMROW-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.34
Rot. Bonds6

About N-cyclopropyl-N-(3-phenylprop-2-enyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine

N-cyclopropyl-N-(3-phenylprop-2-enyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 171140356) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-cyclopropyl-N-(3-phenylprop-2-enyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(3-phenylprop-2-enyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID171140356
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-cyclopropyl-N-(3-phenylprop-2-enyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(N(CC=Cc2ccccc2)C2CC2)s1
InChIInChI=1S/C17H21N3S/c1-13(2)16-18-19-17(21-16)20(15-10-11-15)12-6-9-14-7-4-3-5-8-14/h3-9,13,15H,10-12H2,1-2H3
InChIKeyBOKNQXGMLZMROW-UHFFFAOYSA-N
XLogP4.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(3-phenylprop-2-enyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-N-(3-phenylprop-2-enyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 171140356) is N-cyclopropyl-N-(3-phenylprop-2-enyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-N-(3-phenylprop-2-enyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-N-(3-phenylprop-2-enyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)c1nnc(N(CC=Cc2ccccc2)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-N-(3-phenylprop-2-enyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is BOKNQXGMLZMROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-13(2)16-18-19-17(21-16)20(15-10-11-15)12-6-9-14-7-4-3-5-8-14/h3-9,13,15H,10-12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(3-phenylprop-2-enyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-N-(3-phenylprop-2-enyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 299.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3-phenylprop-2-enyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 171140356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).