N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

C19H15N5OS — CID 124759838

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESc1csc(-c2noc(-c3cncnc3N[C@@H]3CCc4ccccc43)n2)c1
InChIInChI=1S/C19H15N5OS/c1-2-5-13-12(4-1)7-8-15(13)22-17-14(10-20-11-21-17)19-23-18(24-25-19)16-6-3-9-26-16/h1-6,9-11,15H,7-8H2,(H,20,21,22)/t15-/m1/s1
InChIKeyIEKVUDBWZNLKRP-OAHLLOKOSA-N
MW361.43 g/mol
LogP4.35
Rot. Bonds4

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (PubChem CID 124759838) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
PubChem CID124759838
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESc1csc(-c2noc(-c3cncnc3N[C@@H]3CCc4ccccc43)n2)c1
InChIInChI=1S/C19H15N5OS/c1-2-5-13-12(4-1)7-8-15(13)22-17-14(10-20-11-21-17)19-23-18(24-25-19)16-6-3-9-26-16/h1-6,9-11,15H,7-8H2,(H,20,21,22)/t15-/m1/s1
InChIKeyIEKVUDBWZNLKRP-OAHLLOKOSA-N
XLogP4.35
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 99130250
N-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine
CID 134052194
N-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 91624234
5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 169260324
5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43097684
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 165069432
5-(2,4-dichlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718742
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine
CID 11948553
2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine
CID 141199441
6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 71876923
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 30332113
5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 23047526

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (CID 124759838) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is c1csc(-c2noc(-c3cncnc3N[C@@H]3CCc4ccccc43)n2)c1.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The InChIKey is IEKVUDBWZNLKRP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-2-5-13-12(4-1)7-8-15(13)22-17-14(10-20-11-21-17)19-23-18(24-25-19)16-6-3-9-26-16/h1-6,9-11,15H,7-8H2,(H,20,21,22)/t15-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine has a molecular weight of 361.43 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 124759838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).