N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

C12H19N5OS — CID 106962119

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1csc(C(C)Nc2nnc(CNC(C)C)o2)n1
InChIInChI=1S/C12H19N5OS/c1-7(2)13-5-10-16-17-12(18-10)15-9(4)11-14-8(3)6-19-11/h6-7,9,13H,5H2,1-4H3,(H,15,17)
InChIKeyRZMPLBVZARSBGI-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.51
Rot. Bonds6

About N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106962119) has the molecular formula C12H19N5OS and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106962119
Molecular FormulaC12H19N5OS
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1csc(C(C)Nc2nnc(CNC(C)C)o2)n1
InChIInChI=1S/C12H19N5OS/c1-7(2)13-5-10-16-17-12(18-10)15-9(4)11-14-8(3)6-19-11/h6-7,9,13H,5H2,1-4H3,(H,15,17)
InChIKeyRZMPLBVZARSBGI-UHFFFAOYSA-N
XLogP2.51
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971273
1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63095222
N-(1-cyclopentylethyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961636
N-tert-butyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964227
N-(furan-3-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091781
N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964132
5-(propylaminomethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106962100
N-[(4-chlorothiophen-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 79427265
5-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969059
N-(2-methylsulfanylethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 104579189
N-(4-bromo-2,6-dimethylphenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966047
5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964534

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106962119) is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is Cc1csc(C(C)Nc2nnc(CNC(C)C)o2)n1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is RZMPLBVZARSBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5OS/c1-7(2)13-5-10-16-17-12(18-10)15-9(4)11-14-8(3)6-19-11/h6-7,9,13H,5H2,1-4H3,(H,15,17).
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 281.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106962119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).