N'-[4-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethanimidamide

C9H15N5S — CID 148883519

IUPACN'-[4-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethanimidamide
SMILESCC(N)=NC1=NC(C2CN=C(C)N2)CS1
InChIInChI=1S/C9H15N5S/c1-5(10)12-9-14-8(4-15-9)7-3-11-6(2)13-7/h7-8H,3-4H2,1-2H3,(H,11,13)(H2,10,12,14)
InChIKeyPDNPGSSRIGGLMV-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.23
Rot. Bonds1

About N'-[4-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethanimidamide

N'-[4-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethanimidamide (PubChem CID 148883519) has the molecular formula C9H15N5S and a molecular weight of 225.32 g/mol. Its IUPAC name is N'-[4-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[4-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethanimidamide
PubChem CID148883519
Molecular FormulaC9H15N5S
Molecular Weight225.32 g/mol
Exact Mass225.10
IUPAC NameN'-[4-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethanimidamide
SMILESCC(N)=NC1=NC(C2CN=C(C)N2)CS1
InChIInChI=1S/C9H15N5S/c1-5(10)12-9-14-8(4-15-9)7-3-11-6(2)13-7/h7-8H,3-4H2,1-2H3,(H,11,13)(H2,10,12,14)
InChIKeyPDNPGSSRIGGLMV-UHFFFAOYSA-N
XLogP0.23
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methyl-4,5-dihydro-1,3-thiazole
CID 142175086
2-methyl-5-(2-methylsulfanylethyl)-4,5-dihydro-1H-imidazole
CID 142566300
2-[2-[(2-methylimino-1,3-thiazolidin-4-yl)methylamino]-4,5-dihydro-1H-imidazol-5-yl]ethanimidamide
CID 152984781
N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61465270
4-ethyl-N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61465305
N'-butan-2-yl-N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-methylethane-1,2-diamine
CID 105981046
5-ethyl-N-(1-methylpyrrolidin-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 116241174
1-N,1-N-diethyl-2-N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,2-diamine
CID 116241372
2-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)-1-methyl-4,5-dihydroimidazole
CID 129929567
2-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 130008608

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethanimidamide?
The IUPAC name of N'-[4-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethanimidamide (CID 148883519) is N'-[4-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethanimidamide.
What is the SMILES notation for N'-[4-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethanimidamide?
The canonical SMILES for N'-[4-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethanimidamide is CC(N)=NC1=NC(C2CN=C(C)N2)CS1.
What is the InChIKey of N'-[4-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethanimidamide?
The InChIKey is PDNPGSSRIGGLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5S/c1-5(10)12-9-14-8(4-15-9)7-3-11-6(2)13-7/h7-8H,3-4H2,1-2H3,(H,11,13)(H2,10,12,14).
What are the key properties of N'-[4-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethanimidamide?
N'-[4-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethanimidamide has a molecular weight of 225.32 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethanimidamide is sourced from PubChem (CID 148883519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).