1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine

C15H20N2OS — CID 61339023

IUPAC1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
SMILESCc1ccc(-c2csc(C3(N)CCCCCC3)n2)o1
InChIInChI=1S/C15H20N2OS/c1-11-6-7-13(18-11)12-10-19-14(17-12)15(16)8-4-2-3-5-9-15/h6-7,10H,2-5,8-9,16H2,1H3
InChIKeyMIDRTCIMXDSBNH-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.22
Rot. Bonds2

About 1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine

1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine (PubChem CID 61339023) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
PubChem CID61339023
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
SMILESCc1ccc(-c2csc(C3(N)CCCCCC3)n2)o1
InChIInChI=1S/C15H20N2OS/c1-11-6-7-13(18-11)12-10-19-14(17-12)15(16)8-4-2-3-5-9-15/h6-7,10H,2-5,8-9,16H2,1H3
InChIKeyMIDRTCIMXDSBNH-UHFFFAOYSA-N
XLogP4.22
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine?
The IUPAC name of 1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine (CID 61339023) is 1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine.
What is the SMILES notation for 1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine?
The canonical SMILES for 1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine is Cc1ccc(-c2csc(C3(N)CCCCCC3)n2)o1.
What is the InChIKey of 1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine?
The InChIKey is MIDRTCIMXDSBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11-6-7-13(18-11)12-10-19-14(17-12)15(16)8-4-2-3-5-9-15/h6-7,10H,2-5,8-9,16H2,1H3.
What are the key properties of 1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine?
1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine has a molecular weight of 276.40 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine is sourced from PubChem (CID 61339023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).