2-methyl-6-(morpholin-4-ylmethyl)-N-(3,3,3-trifluoropropyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C15H19F3N4O2S — CID 170721755

IUPAC2-methyl-6-(morpholin-4-ylmethyl)-N-(3,3,3-trifluoropropyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2[nH]c(C(=O)NCCC(F)(F)F)c(CN3CCOCC3)c2s1
InChIInChI=1S/C15H19F3N4O2S/c1-9-20-13-12(25-9)10(8-22-4-6-24-7-5-22)11(21-13)14(23)19-3-2-15(16,17)18/h21H,2-8H2,1H3,(H,19,23)
InChIKeyFYOGVNNSUFEYLQ-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.45
Rot. Bonds5

About 2-methyl-6-(morpholin-4-ylmethyl)-N-(3,3,3-trifluoropropyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

2-methyl-6-(morpholin-4-ylmethyl)-N-(3,3,3-trifluoropropyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 170721755) has the molecular formula C15H19F3N4O2S and a molecular weight of 376.40 g/mol. Its IUPAC name is 2-methyl-6-(morpholin-4-ylmethyl)-N-(3,3,3-trifluoropropyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(morpholin-4-ylmethyl)-N-(3,3,3-trifluoropropyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID170721755
Molecular FormulaC15H19F3N4O2S
Molecular Weight376.40 g/mol
Exact Mass376.12
IUPAC Name2-methyl-6-(morpholin-4-ylmethyl)-N-(3,3,3-trifluoropropyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2[nH]c(C(=O)NCCC(F)(F)F)c(CN3CCOCC3)c2s1
InChIInChI=1S/C15H19F3N4O2S/c1-9-20-13-12(25-9)10(8-22-4-6-24-7-5-22)11(21-13)14(23)19-3-2-15(16,17)18/h21H,2-8H2,1H3,(H,19,23)
InChIKeyFYOGVNNSUFEYLQ-UHFFFAOYSA-N
XLogP2.45
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(morpholin-4-ylmethyl)-N-(3,3,3-trifluoropropyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-methyl-6-(morpholin-4-ylmethyl)-N-(3,3,3-trifluoropropyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 170721755) is 2-methyl-6-(morpholin-4-ylmethyl)-N-(3,3,3-trifluoropropyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-6-(morpholin-4-ylmethyl)-N-(3,3,3-trifluoropropyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-6-(morpholin-4-ylmethyl)-N-(3,3,3-trifluoropropyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is Cc1nc2[nH]c(C(=O)NCCC(F)(F)F)c(CN3CCOCC3)c2s1.
What is the InChIKey of 2-methyl-6-(morpholin-4-ylmethyl)-N-(3,3,3-trifluoropropyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is FYOGVNNSUFEYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2S/c1-9-20-13-12(25-9)10(8-22-4-6-24-7-5-22)11(21-13)14(23)19-3-2-15(16,17)18/h21H,2-8H2,1H3,(H,19,23).
What are the key properties of 2-methyl-6-(morpholin-4-ylmethyl)-N-(3,3,3-trifluoropropyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
2-methyl-6-(morpholin-4-ylmethyl)-N-(3,3,3-trifluoropropyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(morpholin-4-ylmethyl)-N-(3,3,3-trifluoropropyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 170721755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).