N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine

C10H10BrN3OS — CID 115777283

IUPACN-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine
SMILESBrc1csc(CNc2nnc(C3CC3)o2)c1
InChIInChI=1S/C10H10BrN3OS/c11-7-3-8(16-5-7)4-12-10-14-13-9(15-10)6-1-2-6/h3,5-6H,1-2,4H2,(H,12,14)
InChIKeyQGWQOEMPGUPENT-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.38
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine

N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine (PubChem CID 115777283) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine
PubChem CID115777283
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine
SMILESBrc1csc(CNc2nnc(C3CC3)o2)c1
InChIInChI=1S/C10H10BrN3OS/c11-7-3-8(16-5-7)4-12-10-14-13-9(15-10)6-1-2-6/h3,5-6H,1-2,4H2,(H,12,14)
InChIKeyQGWQOEMPGUPENT-UHFFFAOYSA-N
XLogP3.38
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106962364
N-[(4-bromothiophen-2-yl)methyl]-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 106957989
N-[(4-bromothiophen-2-yl)methyl]-5-(2-chloroethyl)-1,3,4-oxadiazol-2-amine
CID 106957991
4-N-[(4-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine
CID 80960032
5-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 115924805
4-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136975898
5-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 126772324
N-[(4-bromothiophen-2-yl)methyl]-1-cyclopropylimidazol-2-amine
CID 106575655
N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362665
5-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 72838563
N-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79503527
4-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-fluorobenzenesulfonamide
CID 116528347

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine (CID 115777283) is N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine is Brc1csc(CNc2nnc(C3CC3)o2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine?
The InChIKey is QGWQOEMPGUPENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c11-7-3-8(16-5-7)4-12-10-14-13-9(15-10)6-1-2-6/h3,5-6H,1-2,4H2,(H,12,14).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine has a molecular weight of 300.18 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 115777283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).