N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(furan-2-yl)butan-2-amine

C15H22N2OS — CID 43205401

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(furan-2-yl)butan-2-amine
SMILESCc1nc(C(C)NC(C)CCc2ccco2)c(C)s1
InChIInChI=1S/C15H22N2OS/c1-10(7-8-14-6-5-9-18-14)16-11(2)15-12(3)19-13(4)17-15/h5-6,9-11,16H,7-8H2,1-4H3
InChIKeyIJWHHJQRFOECQS-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.02
Rot. Bonds6

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(furan-2-yl)butan-2-amine

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 43205401) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(furan-2-yl)butan-2-amine
PubChem CID43205401
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(furan-2-yl)butan-2-amine
SMILESCc1nc(C(C)NC(C)CCc2ccco2)c(C)s1
InChIInChI=1S/C15H22N2OS/c1-10(7-8-14-6-5-9-18-14)16-11(2)15-12(3)19-13(4)17-15/h5-6,9-11,16H,7-8H2,1-4H3
InChIKeyIJWHHJQRFOECQS-UHFFFAOYSA-N
XLogP4.02
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 43535437
4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349893
4-(furan-2-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349155
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
4-(furan-2-yl)-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81374293
4-(furan-2-yl)-N-[(1R)-1-(3-methylphenyl)ethyl]butan-2-amine
CID 81363511
4-(furan-2-yl)-N-(1-pyridin-2-ylethyl)butan-2-amine
CID 43205350
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol
CID 43205349
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43121413
N-[1-(3-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43105060

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(furan-2-yl)butan-2-amine (CID 43205401) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(furan-2-yl)butan-2-amine is Cc1nc(C(C)NC(C)CCc2ccco2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is IJWHHJQRFOECQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10(7-8-14-6-5-9-18-14)16-11(2)15-12(3)19-13(4)17-15/h5-6,9-11,16H,7-8H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(furan-2-yl)butan-2-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 278.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 43205401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).