5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C13H20F3N3S — CID 62768020

IUPAC5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N(CC(F)(F)F)C2CC2)sc1CN
InChIInChI=1S/C13H20F3N3S/c1-12(2,3)10-9(6-17)20-11(18-10)19(8-4-5-8)7-13(14,15)16/h8H,4-7,17H2,1-3H3
InChIKeyYSYHFTOONZUZEX-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.43
Rot. Bonds4

About 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62768020) has the molecular formula C13H20F3N3S and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62768020
Molecular FormulaC13H20F3N3S
Molecular Weight307.39 g/mol
Exact Mass307.13
IUPAC Name5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N(CC(F)(F)F)C2CC2)sc1CN
InChIInChI=1S/C13H20F3N3S/c1-12(2,3)10-9(6-17)20-11(18-10)19(8-4-5-8)7-13(14,15)16/h8H,4-7,17H2,1-3H3
InChIKeyYSYHFTOONZUZEX-UHFFFAOYSA-N
XLogP3.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-propyl-1,3-thiazol-2-amine
CID 62768652
5-(aminomethyl)-4-tert-butyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62769416
[2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 55117430
2-N-cyclopropyl-5,5-dimethyl-2-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-1,3-benzothiazole-2,7-diamine
CID 62750176
5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62768860
5-(aminomethyl)-N-cyclopropyl-4-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62768827
5-(aminomethyl)-4-tert-butyl-N-(3-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766697
5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62769108
4-(1-aminoethyl)-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 64543144
5-(aminomethyl)-N-cyclopropyl-4-propan-2-yl-N-propyl-1,3-thiazol-2-amine
CID 79395615
5-(aminomethyl)-4-tert-butyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79488830
5-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80630541

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62768020) is 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CC(C)(C)c1nc(N(CC(F)(F)F)C2CC2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is YSYHFTOONZUZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S/c1-12(2,3)10-9(6-17)20-11(18-10)19(8-4-5-8)7-13(14,15)16/h8H,4-7,17H2,1-3H3.
What are the key properties of 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 307.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-tert-butyl-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).