N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C15H13F3N2S — CID 133383706

IUPACN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1csc(NCC2C3Cc4ccccc4C23)n1
InChIInChI=1S/C15H13F3N2S/c16-15(17,18)12-7-21-14(20-12)19-6-11-10-5-8-3-1-2-4-9(8)13(10)11/h1-4,7,10-11,13H,5-6H2,(H,19,20)
InChIKeyBDYOWMBPAWIWHK-UHFFFAOYSA-N
MW310.34 g/mol
LogP4.16
Rot. Bonds3

About N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 133383706) has the molecular formula C15H13F3N2S and a molecular weight of 310.34 g/mol. Its IUPAC name is N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID133383706
Molecular FormulaC15H13F3N2S
Molecular Weight310.34 g/mol
Exact Mass310.08
IUPAC NameN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1csc(NCC2C3Cc4ccccc4C23)n1
InChIInChI=1S/C15H13F3N2S/c16-15(17,18)12-7-21-14(20-12)19-6-11-10-5-8-3-1-2-4-9(8)13(10)11/h1-4,7,10-11,13H,5-6H2,(H,19,20)
InChIKeyBDYOWMBPAWIWHK-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

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)-3-methyl-1,2,4-thiadiazol-5-amine
CID 133375690
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-bromopyrimidin-2-amine
CID 133375697
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine
CID 79399487
1-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 98233743
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-2-fluoro-4-nitroaniline
CID 133375584
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
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111687911
[(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine
CID 96542205
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133366043

Frequently Asked Questions

What is the IUPAC name of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 133383706) is N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is FC(F)(F)c1csc(NCC2C3Cc4ccccc4C23)n1.
What is the InChIKey of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is BDYOWMBPAWIWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2S/c16-15(17,18)12-7-21-14(20-12)19-6-11-10-5-8-3-1-2-4-9(8)13(10)11/h1-4,7,10-11,13H,5-6H2,(H,19,20).
What are the key properties of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 310.34 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133383706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).