N-[5-(1-methyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide

C14H16N6O2S — CID 71787990

IUPACN-[5-(1-methyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
SMILESCn1cc(C(=O)N2CCc3nc(NC(=O)C4CC4)sc3C2)nn1
InChIInChI=1S/C14H16N6O2S/c1-19-6-10(17-18-19)13(22)20-5-4-9-11(7-20)23-14(15-9)16-12(21)8-2-3-8/h6,8H,2-5,7H2,1H3,(H,15,16,21)
InChIKeyREEIGAHOQOQXKL-UHFFFAOYSA-N
MW332.39 g/mol
LogP0.82
Rot. Bonds3

About N-[5-(1-methyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide

N-[5-(1-methyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 71787990) has the molecular formula C14H16N6O2S and a molecular weight of 332.39 g/mol. Its IUPAC name is N-[5-(1-methyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(1-methyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID71787990
Molecular FormulaC14H16N6O2S
Molecular Weight332.39 g/mol
Exact Mass332.11
IUPAC NameN-[5-(1-methyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
SMILESCn1cc(C(=O)N2CCc3nc(NC(=O)C4CC4)sc3C2)nn1
InChIInChI=1S/C14H16N6O2S/c1-19-6-10(17-18-19)13(22)20-5-4-9-11(7-20)23-14(15-9)16-12(21)8-2-3-8/h6,8H,2-5,7H2,1H3,(H,15,16,21)
InChIKeyREEIGAHOQOQXKL-UHFFFAOYSA-N
XLogP0.82
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(1-methyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide (CID 71787990) is N-[5-(1-methyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(1-methyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(1-methyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide is Cn1cc(C(=O)N2CCc3nc(NC(=O)C4CC4)sc3C2)nn1.
What is the InChIKey of N-[5-(1-methyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is REEIGAHOQOQXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2S/c1-19-6-10(17-18-19)13(22)20-5-4-9-11(7-20)23-14(15-9)16-12(21)8-2-3-8/h6,8H,2-5,7H2,1H3,(H,15,16,21).
What are the key properties of N-[5-(1-methyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(1-methyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 332.39 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methyltriazole-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71787990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).