(1R)-N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine

C11H13F3N4S — CID 95904258

IUPAC(1R)-N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCC[C@@H](NCc1ccn[nH]1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H13F3N4S/c1-2-8(15-5-7-3-4-16-18-7)10-17-9(6-19-10)11(12,13)14/h3-4,6,8,15H,2,5H2,1H3,(H,16,18)/t8-/m1/s1
InChIKeyQLKYLCOSKYGSIO-MRVPVSSYSA-N
MW290.31 g/mol
LogP3.13
Rot. Bonds5

About (1R)-N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine

(1R)-N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 95904258) has the molecular formula C11H13F3N4S and a molecular weight of 290.31 g/mol. Its IUPAC name is (1R)-N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID95904258
Molecular FormulaC11H13F3N4S
Molecular Weight290.31 g/mol
Exact Mass290.08
IUPAC Name(1R)-N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCC[C@@H](NCc1ccn[nH]1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H13F3N4S/c1-2-8(15-5-7-3-4-16-18-7)10-17-9(6-19-10)11(12,13)14/h3-4,6,8,15H,2,5H2,1H3,(H,16,18)/t8-/m1/s1
InChIKeyQLKYLCOSKYGSIO-MRVPVSSYSA-N
XLogP3.13
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of (1R)-N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine (CID 95904258) is (1R)-N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for (1R)-N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for (1R)-N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine is CC[C@@H](NCc1ccn[nH]1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of (1R)-N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is QLKYLCOSKYGSIO-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13F3N4S/c1-2-8(15-5-7-3-4-16-18-7)10-17-9(6-19-10)11(12,13)14/h3-4,6,8,15H,2,5H2,1H3,(H,16,18)/t8-/m1/s1.
What are the key properties of (1R)-N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
(1R)-N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 290.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 95904258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).