N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonylamino)-1,3-thiazole-5-carboxamide

C14H18N6O2S — CID 110458823

IUPACN,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonylamino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2n[nH]c3c2CNCC3)sc1C(=O)N(C)C
InChIInChI=1S/C14H18N6O2S/c1-7-11(13(22)20(2)3)23-14(16-7)17-12(21)10-8-6-15-5-4-9(8)18-19-10/h15H,4-6H2,1-3H3,(H,18,19)(H,16,17,21)
InChIKeyLLUFJUWIQGBYIZ-UHFFFAOYSA-N
MW334.41 g/mol
LogP0.77
Rot. Bonds3

About N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonylamino)-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonylamino)-1,3-thiazole-5-carboxamide (PubChem CID 110458823) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonylamino)-1,3-thiazole-5-carboxamide
PubChem CID110458823
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC NameN,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonylamino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2n[nH]c3c2CNCC3)sc1C(=O)N(C)C
InChIInChI=1S/C14H18N6O2S/c1-7-11(13(22)20(2)3)23-14(16-7)17-12(21)10-8-6-15-5-4-9(8)18-19-10/h15H,4-6H2,1-3H3,(H,18,19)(H,16,17,21)
InChIKeyLLUFJUWIQGBYIZ-UHFFFAOYSA-N
XLogP0.77
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonylamino)-1,3-thiazole-5-carboxamide (CID 110458823) is N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonylamino)-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2n[nH]c3c2CNCC3)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is LLUFJUWIQGBYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-7-11(13(22)20(2)3)23-14(16-7)17-12(21)10-8-6-15-5-4-9(8)18-19-10/h15H,4-6H2,1-3H3,(H,18,19)(H,16,17,21).
What are the key properties of N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonylamino)-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 334.41 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110458823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).