3-(1,2-thiazol-3-yl)cyclohept-2-en-1-amine

C10H14N2S — CID 131014002

IUPAC3-(1,2-thiazol-3-yl)cyclohept-2-en-1-amine
SMILESNC1C=C(c2ccsn2)CCCC1
InChIInChI=1S/C10H14N2S/c11-9-4-2-1-3-8(7-9)10-5-6-13-12-10/h5-7,9H,1-4,11H2
InChIKeyDIXZAYMDFWYXPC-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.43
Rot. Bonds1

About 3-(1,2-thiazol-3-yl)cyclohept-2-en-1-amine

3-(1,2-thiazol-3-yl)cyclohept-2-en-1-amine (PubChem CID 131014002) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-(1,2-thiazol-3-yl)cyclohept-2-en-1-amine.

Molecular Properties

Compound Name3-(1,2-thiazol-3-yl)cyclohept-2-en-1-amine
PubChem CID131014002
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name3-(1,2-thiazol-3-yl)cyclohept-2-en-1-amine
SMILESNC1C=C(c2ccsn2)CCCC1
InChIInChI=1S/C10H14N2S/c11-9-4-2-1-3-8(7-9)10-5-6-13-12-10/h5-7,9H,1-4,11H2
InChIKeyDIXZAYMDFWYXPC-UHFFFAOYSA-N
XLogP2.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-thiazol-3-yl)cyclohept-2-en-1-amine?
The IUPAC name of 3-(1,2-thiazol-3-yl)cyclohept-2-en-1-amine (CID 131014002) is 3-(1,2-thiazol-3-yl)cyclohept-2-en-1-amine.
What is the SMILES notation for 3-(1,2-thiazol-3-yl)cyclohept-2-en-1-amine?
The canonical SMILES for 3-(1,2-thiazol-3-yl)cyclohept-2-en-1-amine is NC1C=C(c2ccsn2)CCCC1.
What is the InChIKey of 3-(1,2-thiazol-3-yl)cyclohept-2-en-1-amine?
The InChIKey is DIXZAYMDFWYXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c11-9-4-2-1-3-8(7-9)10-5-6-13-12-10/h5-7,9H,1-4,11H2.
What are the key properties of 3-(1,2-thiazol-3-yl)cyclohept-2-en-1-amine?
3-(1,2-thiazol-3-yl)cyclohept-2-en-1-amine has a molecular weight of 194.30 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-thiazol-3-yl)cyclohept-2-en-1-amine is sourced from PubChem (CID 131014002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).