N-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine

C14H25N3S — CID 107648441

IUPACN-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CCCC(C(C)(C)C)CC2)s1
InChIInChI=1S/C14H25N3S/c1-10-16-17-13(18-10)15-12-7-5-6-11(8-9-12)14(2,3)4/h11-12H,5-9H2,1-4H3,(H,15,17)
InChIKeyIFETXLIBPASFBD-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.25
Rot. Bonds2

About N-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine

N-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 107648441) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID107648441
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CCCC(C(C)(C)C)CC2)s1
InChIInChI=1S/C14H25N3S/c1-10-16-17-13(18-10)15-12-7-5-6-11(8-9-12)14(2,3)4/h11-12H,5-9H2,1-4H3,(H,15,17)
InChIKeyIFETXLIBPASFBD-UHFFFAOYSA-N
XLogP4.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine
CID 79110490
1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine
CID 107648214
4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid
CID 65208967
N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 66186567
4-tert-butyl-N-cyclopentylcycloheptan-1-amine
CID 65090444
4-tert-butyl-N-phenylcycloheptan-1-amine
CID 65090391
1,4-ditert-butylcycloheptane
CID 58579546
N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648211
N-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 102609219
4-tert-butyl-N-propan-2-ylcycloheptan-1-amine
CID 65090392
4-tert-butyl-N-(2,5-dibromophenyl)cycloheptan-1-amine
CID 65090161
4-tert-butyl-N-(2,6-difluorophenyl)cycloheptan-1-amine
CID 65090003

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine (CID 107648441) is N-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NC2CCCC(C(C)(C)C)CC2)s1.
What is the InChIKey of N-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is IFETXLIBPASFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10-16-17-13(18-10)15-12-7-5-6-11(8-9-12)14(2,3)4/h11-12H,5-9H2,1-4H3,(H,15,17).
What are the key properties of N-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine?
N-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 267.44 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).