N,1-dimethyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-amine

C16H19N5OS — CID 75507569

IUPACN,1-dimethyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-amine
SMILESCN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1cnn(C)c1
InChIInChI=1S/C16H19N5OS/c1-20(12-8-17-21(2)9-12)10-15-18-19-16(22-15)14-7-11-5-3-4-6-13(11)23-14/h7-9H,3-6,10H2,1-2H3
InChIKeyKBZUPZFTKNOSIM-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.05
Rot. Bonds4

About N,1-dimethyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-amine

N,1-dimethyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-amine (PubChem CID 75507569) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is N,1-dimethyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-amine
PubChem CID75507569
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC NameN,1-dimethyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-amine
SMILESCN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1cnn(C)c1
InChIInChI=1S/C16H19N5OS/c1-20(12-8-17-21(2)9-12)10-15-18-19-16(22-15)14-7-11-5-3-4-6-13(11)23-14/h7-9H,3-6,10H2,1-2H3
InChIKeyKBZUPZFTKNOSIM-UHFFFAOYSA-N
XLogP3.05
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-amine?
The IUPAC name of N,1-dimethyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-amine (CID 75507569) is N,1-dimethyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-amine?
The canonical SMILES for N,1-dimethyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-amine is CN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)c1cnn(C)c1.
What is the InChIKey of N,1-dimethyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-amine?
The InChIKey is KBZUPZFTKNOSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-20(12-8-17-21(2)9-12)10-15-18-19-16(22-15)14-7-11-5-3-4-6-13(11)23-14/h7-9H,3-6,10H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-amine?
N,1-dimethyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-amine has a molecular weight of 329.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 75507569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).