N-[1-(furan-2-yl)propan-2-yl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C14H22N2OS — CID 54954427

IUPACN-[1-(furan-2-yl)propan-2-yl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C)Cc2ccco2)=N1
InChIInChI=1S/C14H22N2OS/c1-10(2)7-12-9-18-14(16-12)15-11(3)8-13-5-4-6-17-13/h4-6,10-12H,7-9H2,1-3H3,(H,15,16)
InChIKeyDOOWMKLIFFMPFH-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.32
Rot. Bonds5

About N-[1-(furan-2-yl)propan-2-yl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-[1-(furan-2-yl)propan-2-yl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 54954427) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[1-(furan-2-yl)propan-2-yl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)propan-2-yl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID54954427
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-[1-(furan-2-yl)propan-2-yl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C)Cc2ccco2)=N1
InChIInChI=1S/C14H22N2OS/c1-10(2)7-12-9-18-14(16-12)15-11(3)8-13-5-4-6-17-13/h4-6,10-12H,7-9H2,1-3H3,(H,15,16)
InChIKeyDOOWMKLIFFMPFH-UHFFFAOYSA-N
XLogP3.32
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(furan-2-yl)propan-2-yl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 54954427) is N-[1-(furan-2-yl)propan-2-yl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(furan-2-yl)propan-2-yl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(furan-2-yl)propan-2-yl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(NC(C)Cc2ccco2)=N1.
What is the InChIKey of N-[1-(furan-2-yl)propan-2-yl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DOOWMKLIFFMPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)7-12-9-18-14(16-12)15-11(3)8-13-5-4-6-17-13/h4-6,10-12H,7-9H2,1-3H3,(H,15,16).
What are the key properties of N-[1-(furan-2-yl)propan-2-yl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-[1-(furan-2-yl)propan-2-yl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 266.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)propan-2-yl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 54954427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).