4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine

C13H13ClF3N3S — CID 1473901

IUPAC4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(Nc2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C13H13ClF3N3S/c1-12(2,3)9-6-21-11(19-9)20-10-8(14)4-7(5-18-10)13(15,16)17/h4-6H,1-3H3,(H,18,19,20)
InChIKeyUVIHRLXVCIDQSB-UHFFFAOYSA-N
MW335.78 g/mol
LogP5.25
Rot. Bonds2

About 4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine

4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 1473901) has the molecular formula C13H13ClF3N3S and a molecular weight of 335.78 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID1473901
Molecular FormulaC13H13ClF3N3S
Molecular Weight335.78 g/mol
Exact Mass335.05
IUPAC Name4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(Nc2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C13H13ClF3N3S/c1-12(2,3)9-6-21-11(19-9)20-10-8(14)4-7(5-18-10)13(15,16)17/h4-6H,1-3H3,(H,18,19,20)
InChIKeyUVIHRLXVCIDQSB-UHFFFAOYSA-N
XLogP5.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.78
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-5-chloropyridine-4-carboxylic acid
CID 114919380
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide
CID 70973027
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 110208879
N-[(3-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 78983980
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305
2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dimethylbutane-1,2-diamine
CID 115310843
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 166634928
3-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 103703845
N-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-2-amine
CID 54960658

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 1473901) is 4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine is CC(C)(C)c1csc(Nc2ncc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is UVIHRLXVCIDQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3S/c1-12(2,3)9-6-21-11(19-9)20-10-8(14)4-7(5-18-10)13(15,16)17/h4-6H,1-3H3,(H,18,19,20).
What are the key properties of 4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine?
4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 335.78 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 1473901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).