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

C14H24F3N3S — CID 62768175

IUPAC4-tert-butyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(C)NCc1sc(N(C)CC(F)(F)F)nc1C(C)(C)C
InChIInChI=1S/C14H24F3N3S/c1-9(2)18-7-10-11(13(3,4)5)19-12(21-10)20(6)8-14(15,16)17/h9,18H,7-8H2,1-6H3
InChIKeyLYPOHIHVCYUMGW-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.94
Rot. Bonds5

About 4-tert-butyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-tert-butyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62768175) has the molecular formula C14H24F3N3S and a molecular weight of 323.43 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62768175
Molecular FormulaC14H24F3N3S
Molecular Weight323.43 g/mol
Exact Mass323.16
IUPAC Name4-tert-butyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(C)NCc1sc(N(C)CC(F)(F)F)nc1C(C)(C)C
InChIInChI=1S/C14H24F3N3S/c1-9(2)18-7-10-11(13(3,4)5)19-12(21-10)20(6)8-14(15,16)17/h9,18H,7-8H2,1-6H3
InChIKeyLYPOHIHVCYUMGW-UHFFFAOYSA-N
XLogP3.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62768175) is 4-tert-butyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CC(C)NCc1sc(N(C)CC(F)(F)F)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is LYPOHIHVCYUMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3S/c1-9(2)18-7-10-11(13(3,4)5)19-12(21-10)20(6)8-14(15,16)17/h9,18H,7-8H2,1-6H3.
What are the key properties of 4-tert-butyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-tert-butyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 323.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).