(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C16H16F3N5OS — CID 166295513

IUPAC(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESNc1nc2c(s1)CCCC2C(=O)N1CCc2nc(C(F)(F)F)ncc2C1
InChIInChI=1S/C16H16F3N5OS/c17-16(18,19)14-21-6-8-7-24(5-4-10(8)22-14)13(25)9-2-1-3-11-12(9)23-15(20)26-11/h6,9H,1-5,7H2,(H2,20,23)
InChIKeyRDRYPRNHXLPTGT-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.54
Rot. Bonds1

About (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 166295513) has the molecular formula C16H16F3N5OS and a molecular weight of 383.40 g/mol. Its IUPAC name is (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID166295513
Molecular FormulaC16H16F3N5OS
Molecular Weight383.40 g/mol
Exact Mass383.10
IUPAC Name(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESNc1nc2c(s1)CCCC2C(=O)N1CCc2nc(C(F)(F)F)ncc2C1
InChIInChI=1S/C16H16F3N5OS/c17-16(18,19)14-21-6-8-7-24(5-4-10(8)22-14)13(25)9-2-1-3-11-12(9)23-15(20)26-11/h6,9H,1-5,7H2,(H2,20,23)
InChIKeyRDRYPRNHXLPTGT-UHFFFAOYSA-N
XLogP2.54
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 166295513) is (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is Nc1nc2c(s1)CCCC2C(=O)N1CCc2nc(C(F)(F)F)ncc2C1.
What is the InChIKey of (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is RDRYPRNHXLPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5OS/c17-16(18,19)14-21-6-8-7-24(5-4-10(8)22-14)13(25)9-2-1-3-11-12(9)23-15(20)26-11/h6,9H,1-5,7H2,(H2,20,23).
What are the key properties of (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 383.40 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 166295513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).