(E)-N,3-dimethyl-2-(1,2-thiazol-5-yl)pent-2-en-1-amine;5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole

C18H26N4S2 — CID 178037080

IUPAC(E)-N,3-dimethyl-2-(1,2-thiazol-5-yl)pent-2-en-1-amine;5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole
SMILESC1=C(c2ccns2)CNCC1.CC/C(C)=C(\CNC)c1ccns1
InChIInChI=1S/C10H16N2S.C8H10N2S/c1-4-8(2)9(7-11-3)10-5-6-12-13-10;1-2-7(6-9-4-1)8-3-5-10-11-8/h5-6,11H,4,7H2,1-3H3;2-3,5,9H,1,4,6H2/b9-8+;
InChIKeyHEIFKFNSCLAFOJ-HRNDJLQDSA-N
MW362.57 g/mol
LogP4.07
Rot. Bonds5

About (E)-N,3-dimethyl-2-(1,2-thiazol-5-yl)pent-2-en-1-amine;5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole

(E)-N,3-dimethyl-2-(1,2-thiazol-5-yl)pent-2-en-1-amine;5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole (PubChem CID 178037080) has the molecular formula C18H26N4S2 and a molecular weight of 362.57 g/mol. Its IUPAC name is (E)-N,3-dimethyl-2-(1,2-thiazol-5-yl)pent-2-en-1-amine;5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole.

Molecular Properties

Compound Name(E)-N,3-dimethyl-2-(1,2-thiazol-5-yl)pent-2-en-1-amine;5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole
PubChem CID178037080
Molecular FormulaC18H26N4S2
Molecular Weight362.57 g/mol
Exact Mass362.16
IUPAC Name(E)-N,3-dimethyl-2-(1,2-thiazol-5-yl)pent-2-en-1-amine;5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole
SMILESC1=C(c2ccns2)CNCC1.CC/C(C)=C(\CNC)c1ccns1
InChIInChI=1S/C10H16N2S.C8H10N2S/c1-4-8(2)9(7-11-3)10-5-6-12-13-10;1-2-7(6-9-4-1)8-3-5-10-11-8/h5-6,11H,4,7H2,1-3H3;2-3,5,9H,1,4,6H2/b9-8+;
InChIKeyHEIFKFNSCLAFOJ-HRNDJLQDSA-N
XLogP4.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.57
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (E)-N,3-dimethyl-2-(1,2-thiazol-5-yl)pent-2-en-1-amine;5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole?
The IUPAC name of (E)-N,3-dimethyl-2-(1,2-thiazol-5-yl)pent-2-en-1-amine;5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole (CID 178037080) is (E)-N,3-dimethyl-2-(1,2-thiazol-5-yl)pent-2-en-1-amine;5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole.
What is the SMILES notation for (E)-N,3-dimethyl-2-(1,2-thiazol-5-yl)pent-2-en-1-amine;5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole?
The canonical SMILES for (E)-N,3-dimethyl-2-(1,2-thiazol-5-yl)pent-2-en-1-amine;5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole is C1=C(c2ccns2)CNCC1.CC/C(C)=C(\CNC)c1ccns1.
What is the InChIKey of (E)-N,3-dimethyl-2-(1,2-thiazol-5-yl)pent-2-en-1-amine;5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole?
The InChIKey is HEIFKFNSCLAFOJ-HRNDJLQDSA-N. The full InChI is InChI=1S/C10H16N2S.C8H10N2S/c1-4-8(2)9(7-11-3)10-5-6-12-13-10;1-2-7(6-9-4-1)8-3-5-10-11-8/h5-6,11H,4,7H2,1-3H3;2-3,5,9H,1,4,6H2/b9-8+;.
What are the key properties of (E)-N,3-dimethyl-2-(1,2-thiazol-5-yl)pent-2-en-1-amine;5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole?
(E)-N,3-dimethyl-2-(1,2-thiazol-5-yl)pent-2-en-1-amine;5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole has a molecular weight of 362.57 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3-dimethyl-2-(1,2-thiazol-5-yl)pent-2-en-1-amine;5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole is sourced from PubChem (CID 178037080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).