N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C12H18F3N3S — CID 55112540

IUPACN-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(C)NCc1cnc(N(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C12H18F3N3S/c1-8(2)16-5-10-6-17-11(19-10)18(9-3-4-9)7-12(13,14)15/h6,8-9,16H,3-5,7H2,1-2H3
InChIKeyOMPXPFYKGXNHQI-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.17
Rot. Bonds6

About N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 55112540) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID55112540
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC NameN-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(C)NCc1cnc(N(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C12H18F3N3S/c1-8(2)16-5-10-6-17-11(19-10)18(9-3-4-9)7-12(13,14)15/h6,8-9,16H,3-5,7H2,1-2H3
InChIKeyOMPXPFYKGXNHQI-UHFFFAOYSA-N
XLogP3.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 55112540) is N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CC(C)NCc1cnc(N(CC(F)(F)F)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is OMPXPFYKGXNHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-8(2)16-5-10-6-17-11(19-10)18(9-3-4-9)7-12(13,14)15/h6,8-9,16H,3-5,7H2,1-2H3.
What are the key properties of N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 293.36 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55112540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).