(Z)-3-(5-chloro-1,3-thiazol-2-yl)-2-methylprop-2-en-1-amine

C7H9ClN2S — CID 107125937

IUPAC(Z)-3-(5-chloro-1,3-thiazol-2-yl)-2-methylprop-2-en-1-amine
SMILESC/C(=C/c1ncc(Cl)s1)CN
InChIInChI=1S/C7H9ClN2S/c1-5(3-9)2-7-10-4-6(8)11-7/h2,4H,3,9H2,1H3/b5-2-
InChIKeyBWMOFJKVVPUHSP-DJWKRKHSSA-N
MW188.68 g/mol
LogP2.16
Rot. Bonds2

About (Z)-3-(5-chloro-1,3-thiazol-2-yl)-2-methylprop-2-en-1-amine

(Z)-3-(5-chloro-1,3-thiazol-2-yl)-2-methylprop-2-en-1-amine (PubChem CID 107125937) has the molecular formula C7H9ClN2S and a molecular weight of 188.68 g/mol. Its IUPAC name is (Z)-3-(5-chloro-1,3-thiazol-2-yl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(5-chloro-1,3-thiazol-2-yl)-2-methylprop-2-en-1-amine
PubChem CID107125937
Molecular FormulaC7H9ClN2S
Molecular Weight188.68 g/mol
Exact Mass188.02
IUPAC Name(Z)-3-(5-chloro-1,3-thiazol-2-yl)-2-methylprop-2-en-1-amine
SMILESC/C(=C/c1ncc(Cl)s1)CN
InChIInChI=1S/C7H9ClN2S/c1-5(3-9)2-7-10-4-6(8)11-7/h2,4H,3,9H2,1H3/b5-2-
InChIKeyBWMOFJKVVPUHSP-DJWKRKHSSA-N
XLogP2.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-chloro-1,3-thiazol-2-yl)-2-methylprop-2-en-1-amine?
The IUPAC name of (Z)-3-(5-chloro-1,3-thiazol-2-yl)-2-methylprop-2-en-1-amine (CID 107125937) is (Z)-3-(5-chloro-1,3-thiazol-2-yl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(5-chloro-1,3-thiazol-2-yl)-2-methylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-(5-chloro-1,3-thiazol-2-yl)-2-methylprop-2-en-1-amine is C/C(=C/c1ncc(Cl)s1)CN.
What is the InChIKey of (Z)-3-(5-chloro-1,3-thiazol-2-yl)-2-methylprop-2-en-1-amine?
The InChIKey is BWMOFJKVVPUHSP-DJWKRKHSSA-N. The full InChI is InChI=1S/C7H9ClN2S/c1-5(3-9)2-7-10-4-6(8)11-7/h2,4H,3,9H2,1H3/b5-2-.
What are the key properties of (Z)-3-(5-chloro-1,3-thiazol-2-yl)-2-methylprop-2-en-1-amine?
(Z)-3-(5-chloro-1,3-thiazol-2-yl)-2-methylprop-2-en-1-amine has a molecular weight of 188.68 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-chloro-1,3-thiazol-2-yl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 107125937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).