N-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine

C10H17N3S — CID 102809586

IUPACN-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCCC(Nc2ncns2)CC1
InChIInChI=1S/C10H17N3S/c1-8-3-2-4-9(6-5-8)13-10-11-7-12-14-10/h7-9H,2-6H2,1H3,(H,11,12,13)
InChIKeyNVKGCVMUOJLQQE-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.92
Rot. Bonds2

About N-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine

N-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine (PubChem CID 102809586) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine
PubChem CID102809586
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCCC(Nc2ncns2)CC1
InChIInChI=1S/C10H17N3S/c1-8-3-2-4-9(6-5-8)13-10-11-7-12-14-10/h7-9H,2-6H2,1H3,(H,11,12,13)
InChIKeyNVKGCVMUOJLQQE-UHFFFAOYSA-N
XLogP2.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(1,2,4-thiadiazol-5-ylamino)cyclohexane-1-carboxylate
CID 115777411
1-N-(1,2,4-thiadiazol-5-yl)cyclopentane-1,2-diamine
CID 65275516
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,2,4-thiadiazol-5-amine
CID 131041447
N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276900
N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine
CID 103865940
N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine
CID 65080891
2-N-(4-methylcycloheptyl)-1,3,5-triazine-2,4,6-triamine
CID 134257615
6-chloro-N-(4-methylcycloheptyl)-5-propan-2-ylpyrimidin-4-amine
CID 114101538
N-cyclopentyl-4-methylcycloheptan-1-amine
CID 65081210
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
N-(4-methylcycloheptyl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 65080282
N-(3,5-dichloro-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 107572556

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine (CID 102809586) is N-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine is CC1CCCC(Nc2ncns2)CC1.
What is the InChIKey of N-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is NVKGCVMUOJLQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-3-2-4-9(6-5-8)13-10-11-7-12-14-10/h7-9H,2-6H2,1H3,(H,11,12,13).
What are the key properties of N-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine?
N-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 211.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcycloheptyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 102809586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).