N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine

C12H14F3N5OS — CID 124889357

IUPACN-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCOCc1nc2n(n1)C[C@@H](Nc1ncc(C(F)(F)F)s1)CC2
InChIInChI=1S/C12H14F3N5OS/c1-21-6-9-18-10-3-2-7(5-20(10)19-9)17-11-16-4-8(22-11)12(13,14)15/h4,7H,2-3,5-6H2,1H3,(H,16,17)/t7-/m0/s1
InChIKeySZXPYJBAUNTTSH-ZETCQYMHSA-N
MW333.34 g/mol
LogP2.33
Rot. Bonds4

About N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine

N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 124889357) has the molecular formula C12H14F3N5OS and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID124889357
Molecular FormulaC12H14F3N5OS
Molecular Weight333.34 g/mol
Exact Mass333.09
IUPAC NameN-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCOCc1nc2n(n1)C[C@@H](Nc1ncc(C(F)(F)F)s1)CC2
InChIInChI=1S/C12H14F3N5OS/c1-21-6-9-18-10-3-2-7(5-20(10)19-9)17-11-16-4-8(22-11)12(13,14)15/h4,7H,2-3,5-6H2,1H3,(H,16,17)/t7-/m0/s1
InChIKeySZXPYJBAUNTTSH-ZETCQYMHSA-N
XLogP2.33
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine (CID 124889357) is N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine is COCc1nc2n(n1)C[C@@H](Nc1ncc(C(F)(F)F)s1)CC2.
What is the InChIKey of N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is SZXPYJBAUNTTSH-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14F3N5OS/c1-21-6-9-18-10-3-2-7(5-20(10)19-9)17-11-16-4-8(22-11)12(13,14)15/h4,7H,2-3,5-6H2,1H3,(H,16,17)/t7-/m0/s1.
What are the key properties of N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 333.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-5-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 124889357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).