methyl N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate

C15H18N4O2S2 — CID 2368895

IUPACmethyl N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1sc(N2CCCCC2)nc1-c1cccs1
InChIInChI=1S/C15H18N4O2S2/c1-21-15(20)18-16-10-12-13(11-6-5-9-22-11)17-14(23-12)19-7-3-2-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyAHMXJQJRAOUDND-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.55
Rot. Bonds4

About methyl N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate

methyl N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate (PubChem CID 2368895) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is methyl N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate
PubChem CID2368895
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC Namemethyl N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1sc(N2CCCCC2)nc1-c1cccs1
InChIInChI=1S/C15H18N4O2S2/c1-21-15(20)18-16-10-12-13(11-6-5-9-22-11)17-14(23-12)19-7-3-2-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyAHMXJQJRAOUDND-UHFFFAOYSA-N
XLogP3.55
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate (CID 2368895) is methyl N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate is COC(=O)NN=Cc1sc(N2CCCCC2)nc1-c1cccs1.
What is the InChIKey of methyl N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate?
The InChIKey is AHMXJQJRAOUDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2/c1-21-15(20)18-16-10-12-13(11-6-5-9-22-11)17-14(23-12)19-7-3-2-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,20).
What are the key properties of methyl N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate?
methyl N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate has a molecular weight of 350.47 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]carbamate is sourced from PubChem (CID 2368895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).