N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide

C12H20N4OS — CID 110032592

IUPACN'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide
SMILESCc1csc(C(C)C/N=C(\N)N2CCOCC2)n1
InChIInChI=1S/C12H20N4OS/c1-9(11-15-10(2)8-18-11)7-14-12(13)16-3-5-17-6-4-16/h8-9H,3-7H2,1-2H3,(H2,13,14)
InChIKeyPTSOWKXOIDOJTM-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.20
Rot. Bonds3

About N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide

N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide (PubChem CID 110032592) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide
PubChem CID110032592
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide
SMILESCc1csc(C(C)C/N=C(\N)N2CCOCC2)n1
InChIInChI=1S/C12H20N4OS/c1-9(11-15-10(2)8-18-11)7-14-12(13)16-3-5-17-6-4-16/h8-9H,3-7H2,1-2H3,(H2,13,14)
InChIKeyPTSOWKXOIDOJTM-UHFFFAOYSA-N
XLogP1.20
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide (CID 110032592) is N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide is Cc1csc(C(C)C/N=C(\N)N2CCOCC2)n1.
What is the InChIKey of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide?
The InChIKey is PTSOWKXOIDOJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9(11-15-10(2)8-18-11)7-14-12(13)16-3-5-17-6-4-16/h8-9H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide?
N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide has a molecular weight of 268.39 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide is sourced from PubChem (CID 110032592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).