N'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylethanimidamide

C7H13N3S — CID 11240743

IUPACN'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylethanimidamide
SMILESC/C(=N\C1=NCCS1)N(C)C
InChIInChI=1S/C7H13N3S/c1-6(10(2)3)9-7-8-4-5-11-7/h4-5H2,1-3H3/b9-6+
InChIKeyCDPIFSFDBXJXKN-RMKNXTFCSA-N
MW171.27 g/mol
LogP1.07
Rot. Bonds

About N'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylethanimidamide

N'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylethanimidamide (PubChem CID 11240743) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylethanimidamide
PubChem CID11240743
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylethanimidamide
SMILESC/C(=N\C1=NCCS1)N(C)C
InChIInChI=1S/C7H13N3S/c1-6(10(2)3)9-7-8-4-5-11-7/h4-5H2,1-3H3/b9-6+
InChIKeyCDPIFSFDBXJXKN-RMKNXTFCSA-N
XLogP1.07
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-1,1-bis(methylsulfanyl)methanimine
CID 54178731
4,5-dihydro-1,3-thiazol-2-yl-(3-methylthiophen-2-yl)diazene
CID 67906774
1-(4,5-dihydro-1,3-thiazol-2-yl)ethylidenehydrazine
CID 85230222
4,5-dihydro-1,3-thiazole-2-tellurol
CID 174549737
(NZ)-N-(5-methyl-2,3-dihydro-1,4-thiazin-6-ylidene)hydroxylamine
CID 137156416
3,5-diamino-6-chloro-N-[(E)-N'-(4,5-dihydro-1,3-thiazol-2-yl)carbamimidoyl]pyrazine-2-carboxamide
CID 88732522
1-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-2-(4,5-dihydro-1,3-thiazol-2-yl)guanidine
CID 57265242
(2R)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoic acid
CID 9484208
[2-(dichloromethyl)-3-fluorophenyl]-(4,5-dihydro-1,3-thiazol-2-yl)diazene
CID 67906404
4,5-dihydro-1,3-thiazol-2-ylsilane
CID 151251316
N'-hydroxy-N,N-dimethylethanimidamide
CID 6308604
N'-acetyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetohydrazide
CID 9373062

Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylethanimidamide?
The IUPAC name of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylethanimidamide (CID 11240743) is N'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylethanimidamide?
The canonical SMILES for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylethanimidamide is C/C(=N\C1=NCCS1)N(C)C.
What is the InChIKey of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylethanimidamide?
The InChIKey is CDPIFSFDBXJXKN-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H13N3S/c1-6(10(2)3)9-7-8-4-5-11-7/h4-5H2,1-3H3/b9-6+.
What are the key properties of N'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylethanimidamide?
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylethanimidamide has a molecular weight of 171.27 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylethanimidamide is sourced from PubChem (CID 11240743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).