N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C12H17F3N4S — CID 106620068

IUPACN-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(N(CC2CC2)CC2CCCN2)s1
InChIInChI=1S/C12H17F3N4S/c13-12(14,15)10-17-18-11(20-10)19(6-8-3-4-8)7-9-2-1-5-16-9/h8-9,16H,1-7H2
InChIKeyWGLPEKJSZKNMBW-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.53
Rot. Bonds5

About N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106620068) has the molecular formula C12H17F3N4S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID106620068
Molecular FormulaC12H17F3N4S
Molecular Weight306.36 g/mol
Exact Mass306.11
IUPAC NameN-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)c1nnc(N(CC2CC2)CC2CCCN2)s1
InChIInChI=1S/C12H17F3N4S/c13-12(14,15)10-17-18-11(20-10)19(6-8-3-4-8)7-9-2-1-5-16-9/h8-9,16H,1-7H2
InChIKeyWGLPEKJSZKNMBW-UHFFFAOYSA-N
XLogP2.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 166810497
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607217
4-Methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine
CID 103577437
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104973071
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104973473
N-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106027097
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106600179
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106618951
N-ethyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106619336
N-propyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106619723
N-butyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106620374
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106620677

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 106620068) is N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is FC(F)(F)c1nnc(N(CC2CC2)CC2CCCN2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WGLPEKJSZKNMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4S/c13-12(14,15)10-17-18-11(20-10)19(6-8-3-4-8)7-9-2-1-5-16-9/h8-9,16H,1-7H2.
What are the key properties of N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 306.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106620068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).