N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine

C14H15N3S — CID 133375690

IUPACN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2C3Cc4ccccc4C23)n1
InChIInChI=1S/C14H15N3S/c1-8-16-14(18-17-8)15-7-12-11-6-9-4-2-3-5-10(9)13(11)12/h2-5,11-13H,6-7H2,1H3,(H,15,16,17)
InChIKeyQTVNEJZFHWQFSY-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.84
Rot. Bonds3

About N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine

N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133375690) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133375690
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC NameN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2C3Cc4ccccc4C23)n1
InChIInChI=1S/C14H15N3S/c1-8-16-14(18-17-8)15-7-12-11-6-9-4-2-3-5-10(9)13(11)12/h2-5,11-13H,6-7H2,1H3,(H,15,16,17)
InChIKeyQTVNEJZFHWQFSY-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]pyrimidin-2-amine
CID 125132573
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 133383705
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133383706
5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278553
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-5-bromopyrimidin-2-amine
CID 133375697
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-2-methylsulfonylaniline
CID 133375641
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-6-methyl-5-nitropyridin-2-amine
CID 133375673
2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N-methylpyridine-3-carboxamide
CID 133375536
[(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine
CID 96542205
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 133443607
1-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 98233743
6-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethylamino)-N,N-dimethylpyridine-3-carboxamide
CID 133375608

Frequently Asked Questions

What is the IUPAC name of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 133375690) is N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCC2C3Cc4ccccc4C23)n1.
What is the InChIKey of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is QTVNEJZFHWQFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-8-16-14(18-17-8)15-7-12-11-6-9-4-2-3-5-10(9)13(11)12/h2-5,11-13H,6-7H2,1H3,(H,15,16,17).
What are the key properties of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 257.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133375690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).