N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C17H19N5OS2 — CID 75463597

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)C(NC(=O)c1cnc(-c2ccsc2)s1)c1nnc2n1CCC2
InChIInChI=1S/C17H19N5OS2/c1-10(2)14(15-21-20-13-4-3-6-22(13)15)19-16(23)12-8-18-17(25-12)11-5-7-24-9-11/h5,7-10,14H,3-4,6H2,1-2H3,(H,19,23)
InChIKeyCKHIJPZKHJFTIG-UHFFFAOYSA-N
MW373.51 g/mol
LogP3.54
Rot. Bonds5

About N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 75463597) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID75463597
Molecular FormulaC17H19N5OS2
Molecular Weight373.51 g/mol
Exact Mass373.10
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)C(NC(=O)c1cnc(-c2ccsc2)s1)c1nnc2n1CCC2
InChIInChI=1S/C17H19N5OS2/c1-10(2)14(15-21-20-13-4-3-6-22(13)15)19-16(23)12-8-18-17(25-12)11-5-7-24-9-11/h5,7-10,14H,3-4,6H2,1-2H3,(H,19,23)
InChIKeyCKHIJPZKHJFTIG-UHFFFAOYSA-N
XLogP3.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 75463597) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is CC(C)C(NC(=O)c1cnc(-c2ccsc2)s1)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is CKHIJPZKHJFTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS2/c1-10(2)14(15-21-20-13-4-3-6-22(13)15)19-16(23)12-8-18-17(25-12)11-5-7-24-9-11/h5,7-10,14H,3-4,6H2,1-2H3,(H,19,23).
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 373.51 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75463597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).