1-[5-ethenyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]cyclopropan-1-amine

C11H14N2S — CID 142493847

IUPAC1-[5-ethenyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]cyclopropan-1-amine
SMILESC=Cc1sc(C2(N)CC2)nc1/C=C\C
InChIInChI=1S/C11H14N2S/c1-3-5-8-9(4-2)14-10(13-8)11(12)6-7-11/h3-5H,2,6-7,12H2,1H3/b5-3-
InChIKeyUHCBZRBITZQTIP-HYXAFXHYSA-N
MW206.31 g/mol
LogP2.77
Rot. Bonds3

About 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]cyclopropan-1-amine

1-[5-ethenyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]cyclopropan-1-amine (PubChem CID 142493847) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[5-ethenyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]cyclopropan-1-amine
PubChem CID142493847
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-[5-ethenyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]cyclopropan-1-amine
SMILESC=Cc1sc(C2(N)CC2)nc1/C=C\C
InChIInChI=1S/C11H14N2S/c1-3-5-8-9(4-2)14-10(13-8)11(12)6-7-11/h3-5H,2,6-7,12H2,1H3/b5-3-
InChIKeyUHCBZRBITZQTIP-HYXAFXHYSA-N
XLogP2.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]cyclopropan-1-amine (CID 142493847) is 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]cyclopropan-1-amine is C=Cc1sc(C2(N)CC2)nc1/C=C\C.
What is the InChIKey of 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]cyclopropan-1-amine?
The InChIKey is UHCBZRBITZQTIP-HYXAFXHYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-3-5-8-9(4-2)14-10(13-8)11(12)6-7-11/h3-5H,2,6-7,12H2,1H3/b5-3-.
What are the key properties of 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]cyclopropan-1-amine?
1-[5-ethenyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]cyclopropan-1-amine has a molecular weight of 206.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethenyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 142493847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).