2-[(E)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]guanidine

C10H16N6OS — CID 60641960

IUPAC2-[(E)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]guanidine
SMILESCc1nc(N2CCOCC2)sc1/C=N/N=C(N)N
InChIInChI=1S/C10H16N6OS/c1-7-8(6-13-15-9(11)12)18-10(14-7)16-2-4-17-5-3-16/h6H,2-5H2,1H3,(H4,11,12,15)/b13-6+
InChIKeyYHGKNCWEHKQRGG-AWNIVKPZSA-N
MW268.35 g/mol
LogP-0.10
Rot. Bonds3

About 2-[(E)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]guanidine

2-[(E)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]guanidine (PubChem CID 60641960) has the molecular formula C10H16N6OS and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-[(E)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]guanidine
PubChem CID60641960
Molecular FormulaC10H16N6OS
Molecular Weight268.35 g/mol
Exact Mass268.11
IUPAC Name2-[(E)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]guanidine
SMILESCc1nc(N2CCOCC2)sc1/C=N/N=C(N)N
InChIInChI=1S/C10H16N6OS/c1-7-8(6-13-15-9(11)12)18-10(14-7)16-2-4-17-5-3-16/h6H,2-5H2,1H3,(H4,11,12,15)/b13-6+
InChIKeyYHGKNCWEHKQRGG-AWNIVKPZSA-N
XLogP-0.10
TPSA102.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4,5-Dimethyl-1,3-thiazol-2-yl)morpholine
CID 23076518
4-[5-Methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]morpholine
CID 170133929
4-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)morpholine
CID 122132950
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-4-(4-fluorooxolan-3-yl)piperazine
CID 126856157
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[(3R,4S)-4-fluorooxolan-3-yl]piperazine
CID 126856292
4-(4-Chloromethyl-5-methyl-1,3-thiazol-2-yl)morpholine
CID 23076350
4-Methyl-5-(morpholinomethyl)thiazol-2-amine
CID 28286955
4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 65169426
(4-Methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine;dihydrochloride
CID 69277812
4,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;ethane
CID 142273119
4-(4,5-Dimethyl-1,3-thiazol-2-yl)morpholine;ethane
CID 143922284
4-[4-(Bromomethyl)-5-methyl-1,3-thiazol-2-yl]morpholine
CID 154002466

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]guanidine (CID 60641960) is 2-[(E)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]guanidine is Cc1nc(N2CCOCC2)sc1/C=N/N=C(N)N.
What is the InChIKey of 2-[(E)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]guanidine?
The InChIKey is YHGKNCWEHKQRGG-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H16N6OS/c1-7-8(6-13-15-9(11)12)18-10(14-7)16-2-4-17-5-3-16/h6H,2-5H2,1H3,(H4,11,12,15)/b13-6+.
What are the key properties of 2-[(E)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]guanidine?
2-[(E)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]guanidine has a molecular weight of 268.35 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methylideneamino]guanidine is sourced from PubChem (CID 60641960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).