4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine

C10H8F3N3S2 — CID 43082813

IUPAC4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CSc2ccc(C(F)(F)F)cn2)cs1
InChIInChI=1S/C10H8F3N3S2/c11-10(12,13)6-1-2-8(15-3-6)17-4-7-5-18-9(14)16-7/h1-3,5H,4H2,(H2,14,16)
InChIKeyCISWRGKHUNXGAD-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.43
Rot. Bonds3

About 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine

4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 43082813) has the molecular formula C10H8F3N3S2 and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID43082813
Molecular FormulaC10H8F3N3S2
Molecular Weight291.32 g/mol
Exact Mass291.01
IUPAC Name4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CSc2ccc(C(F)(F)F)cn2)cs1
InChIInChI=1S/C10H8F3N3S2/c11-10(12,13)6-1-2-8(15-3-6)17-4-7-5-18-9(14)16-7/h1-3,5H,4H2,(H2,14,16)
InChIKeyCISWRGKHUNXGAD-UHFFFAOYSA-N
XLogP3.43
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine (CID 43082813) is 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine is Nc1nc(CSc2ccc(C(F)(F)F)cn2)cs1.
What is the InChIKey of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is CISWRGKHUNXGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3S2/c11-10(12,13)6-1-2-8(15-3-6)17-4-7-5-18-9(14)16-7/h1-3,5H,4H2,(H2,14,16).
What are the key properties of 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine?
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 291.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43082813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).