N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

C14H25N3S — CID 114165428

IUPACN-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2C(C)CCCC2C)s1
InChIInChI=1S/C14H25N3S/c1-9(2)8-12-16-17-14(18-12)15-13-10(3)6-5-7-11(13)4/h9-11,13H,5-8H2,1-4H3,(H,15,17)
InChIKeyYOYMKZGPTLGQLK-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.97
Rot. Bonds4

About N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114165428) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID114165428
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2C(C)CCCC2C)s1
InChIInChI=1S/C14H25N3S/c1-9(2)8-12-16-17-14(18-12)15-13-10(3)6-5-7-11(13)4/h9-11,13H,5-8H2,1-4H3,(H,15,17)
InChIKeyYOYMKZGPTLGQLK-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260329
N-(2,6-dimethylcyclohexyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647648
N-(3-methylcyclobutyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260659
5-(2-methylpropyl)-N-piperidin-4-yl-1,3,4-thiadiazol-2-amine
CID 106260980
N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260643
N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165506
N-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260177
N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165463
N-(cyclopropylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260949
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
5-ethyl-N-(2-methylcyclopentyl)-1,3,4-thiadiazol-2-amine
CID 107647698
N-(1,5-dimethylpyrrolidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165481

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 114165428) is N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is CC(C)Cc1nnc(NC2C(C)CCCC2C)s1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YOYMKZGPTLGQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-9(2)8-12-16-17-14(18-12)15-13-10(3)6-5-7-11(13)4/h9-11,13H,5-8H2,1-4H3,(H,15,17).
What are the key properties of N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114165428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).