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

C11H19N3S — CID 107648211

IUPACN-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CCCCCC2)s1
InChIInChI=1S/C11H19N3S/c1-9-13-14-11(15-9)12-8-10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,12,14)
InChIKeyHNURHSNTUDMAPJ-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.23
Rot. Bonds3

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

N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 107648211) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID107648211
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CCCCCC2)s1
InChIInChI=1S/C11H19N3S/c1-9-13-14-11(15-9)12-8-10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,12,14)
InChIKeyHNURHSNTUDMAPJ-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209104
3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopentan-1-ol
CID 103269830
5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209321
5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
methyl 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclohexane-1-carboxylate
CID 108778241
5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine
CID 64624511
5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64982714
N-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 130685931
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 136527461
N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896
N-[[(3S,4R)-4-aminooxolan-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 167983260
N-(cyclobutylmethyl)-5-methyl-1,3-thiazol-2-amine
CID 130741895

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine (CID 107648211) is N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCC2CCCCCC2)s1.
What is the InChIKey of N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HNURHSNTUDMAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9-13-14-11(15-9)12-8-10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H,12,14).
What are the key properties of N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine?
N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).