N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

C15H27N3S — CID 106260643

IUPACN-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCCC1CCCC(Nc2nnc(CC(C)C)s2)CC1
InChIInChI=1S/C15H27N3S/c1-4-12-6-5-7-13(9-8-12)16-15-18-17-14(19-15)10-11(2)3/h11-13H,4-10H2,1-3H3,(H,16,18)
InChIKeyOHPIEFAZBKGLCV-UHFFFAOYSA-N
MW281.47 g/mol
LogP4.51
Rot. Bonds5

About N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106260643) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID106260643
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCCC1CCCC(Nc2nnc(CC(C)C)s2)CC1
InChIInChI=1S/C15H27N3S/c1-4-12-6-5-7-13(9-8-12)16-15-18-17-14(19-15)10-11(2)3/h11-13H,4-10H2,1-3H3,(H,16,18)
InChIKeyOHPIEFAZBKGLCV-UHFFFAOYSA-N
XLogP4.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylpropyl)-N-piperidin-4-yl-1,3,4-thiadiazol-2-amine
CID 106260980
N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165463
N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165428
N-(3-methylcyclobutyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260659
N-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260177
N-(2-methylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260329
N-(cyclopropylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260949
N-cyclopentyl-5-propyl-1,3,4-thiadiazol-2-amine
CID 2305533
N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165506
5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 106260538
N-(1,5-dimethylpyrrolidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165481
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 106260643) is N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is CCC1CCCC(Nc2nnc(CC(C)C)s2)CC1.
What is the InChIKey of N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is OHPIEFAZBKGLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-12-6-5-7-13(9-8-12)16-15-18-17-14(19-15)10-11(2)3/h11-13H,4-10H2,1-3H3,(H,16,18).
What are the key properties of N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 281.47 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106260643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).