N-[6-[(5R)-5-(5-formamido-1,3,4-thiadiazol-2-yl)-2,4-dimethylcyclohexyl]pyridazin-3-yl]formamide

C16H20N6O2S — CID 129135973

IUPACN-[6-[(5R)-5-(5-formamido-1,3,4-thiadiazol-2-yl)-2,4-dimethylcyclohexyl]pyridazin-3-yl]formamide
SMILESCC1CC(C)[C@H](c2nnc(NC=O)s2)CC1c1ccc(NC=O)nn1
InChIInChI=1S/C16H20N6O2S/c1-9-5-10(2)12(15-21-22-16(25-15)18-8-24)6-11(9)13-3-4-14(17-7-23)20-19-13/h3-4,7-12H,5-6H2,1-2H3,(H,17,20,23)(H,18,22,24)/t9?,10?,11?,12-/m1/s1
InChIKeyOMNJNBOUQHMPLW-XHUCQOSOSA-N
MW360.44 g/mol
LogP2.40
Rot. Bonds6

About N-[6-[(5R)-5-(5-formamido-1,3,4-thiadiazol-2-yl)-2,4-dimethylcyclohexyl]pyridazin-3-yl]formamide

N-[6-[(5R)-5-(5-formamido-1,3,4-thiadiazol-2-yl)-2,4-dimethylcyclohexyl]pyridazin-3-yl]formamide (PubChem CID 129135973) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[6-[(5R)-5-(5-formamido-1,3,4-thiadiazol-2-yl)-2,4-dimethylcyclohexyl]pyridazin-3-yl]formamide.

Molecular Properties

Compound NameN-[6-[(5R)-5-(5-formamido-1,3,4-thiadiazol-2-yl)-2,4-dimethylcyclohexyl]pyridazin-3-yl]formamide
PubChem CID129135973
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC NameN-[6-[(5R)-5-(5-formamido-1,3,4-thiadiazol-2-yl)-2,4-dimethylcyclohexyl]pyridazin-3-yl]formamide
SMILESCC1CC(C)[C@H](c2nnc(NC=O)s2)CC1c1ccc(NC=O)nn1
InChIInChI=1S/C16H20N6O2S/c1-9-5-10(2)12(15-21-22-16(25-15)18-8-24)6-11(9)13-3-4-14(17-7-23)20-19-13/h3-4,7-12H,5-6H2,1-2H3,(H,17,20,23)(H,18,22,24)/t9?,10?,11?,12-/m1/s1
InChIKeyOMNJNBOUQHMPLW-XHUCQOSOSA-N
XLogP2.40
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(5R)-5-(5-formamido-1,3,4-thiadiazol-2-yl)-2,4-dimethylcyclohexyl]pyridazin-3-yl]formamide?
The IUPAC name of N-[6-[(5R)-5-(5-formamido-1,3,4-thiadiazol-2-yl)-2,4-dimethylcyclohexyl]pyridazin-3-yl]formamide (CID 129135973) is N-[6-[(5R)-5-(5-formamido-1,3,4-thiadiazol-2-yl)-2,4-dimethylcyclohexyl]pyridazin-3-yl]formamide.
What is the SMILES notation for N-[6-[(5R)-5-(5-formamido-1,3,4-thiadiazol-2-yl)-2,4-dimethylcyclohexyl]pyridazin-3-yl]formamide?
The canonical SMILES for N-[6-[(5R)-5-(5-formamido-1,3,4-thiadiazol-2-yl)-2,4-dimethylcyclohexyl]pyridazin-3-yl]formamide is CC1CC(C)[C@H](c2nnc(NC=O)s2)CC1c1ccc(NC=O)nn1.
What is the InChIKey of N-[6-[(5R)-5-(5-formamido-1,3,4-thiadiazol-2-yl)-2,4-dimethylcyclohexyl]pyridazin-3-yl]formamide?
The InChIKey is OMNJNBOUQHMPLW-XHUCQOSOSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-9-5-10(2)12(15-21-22-16(25-15)18-8-24)6-11(9)13-3-4-14(17-7-23)20-19-13/h3-4,7-12H,5-6H2,1-2H3,(H,17,20,23)(H,18,22,24)/t9?,10?,11?,12-/m1/s1.
What are the key properties of N-[6-[(5R)-5-(5-formamido-1,3,4-thiadiazol-2-yl)-2,4-dimethylcyclohexyl]pyridazin-3-yl]formamide?
N-[6-[(5R)-5-(5-formamido-1,3,4-thiadiazol-2-yl)-2,4-dimethylcyclohexyl]pyridazin-3-yl]formamide has a molecular weight of 360.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(5R)-5-(5-formamido-1,3,4-thiadiazol-2-yl)-2,4-dimethylcyclohexyl]pyridazin-3-yl]formamide is sourced from PubChem (CID 129135973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).