N-(4,5-dihydro-1,3-thiazol-4-ylmethyl)-N,N'-dimethylmethanimidamide

C7H13N3S — CID 123264875

IUPACN-(4,5-dihydro-1,3-thiazol-4-ylmethyl)-N,N'-dimethylmethanimidamide
SMILESC/N=C/N(C)CC1CSC=N1
InChIInChI=1S/C7H13N3S/c1-8-5-10(2)3-7-4-11-6-9-7/h5-7H,3-4H2,1-2H3/b8-5+
InChIKeyUUPZGIDJBJMIEZ-VMPITWQZSA-N
MW171.27 g/mol
LogP0.72
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-4-ylmethyl)-N,N'-dimethylmethanimidamide

N-(4,5-dihydro-1,3-thiazol-4-ylmethyl)-N,N'-dimethylmethanimidamide (PubChem CID 123264875) 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-4-ylmethyl)-N,N'-dimethylmethanimidamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-4-ylmethyl)-N,N'-dimethylmethanimidamide
PubChem CID123264875
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-4-ylmethyl)-N,N'-dimethylmethanimidamide
SMILESC/N=C/N(C)CC1CSC=N1
InChIInChI=1S/C7H13N3S/c1-8-5-10(2)3-7-4-11-6-9-7/h5-7H,3-4H2,1-2H3/b8-5+
InChIKeyUUPZGIDJBJMIEZ-VMPITWQZSA-N
XLogP0.72
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 50.72
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

(4,5-Dimethyl(1,3-thiazolin-2-yl))dimethylamine
CID 3343565
1,4-Dimethyl-2-methylsulfanyl-4,5-dihydroimidazole
CID 123468161
1-[(4R)-4,5-dihydro-1,3-thiazol-4-yl]-N,N-dimethylmethanamine
CID 141340765
1-(3-Methylsulfanylpropyl)-4,5-dihydroimidazole
CID 144512356
2-Ethylsulfanyl-1,4,5-trimethyl-4,5-dihydroimidazole
CID 145816345
N-methyl-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 156447354
Dimethyl(4-methyl(1,3-thiazolin-2-yl))amine
CID 3343564
(4-Ethyl(1,3-thiazolin-2-yl))dimethylamine
CID 3343566
(4R)-4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 40538053
(4S)-4-ethyl-N,N-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 40538199
(4R)-N,N,4-trimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 40543534
(4R,5S)-N,N,4,5-tetramethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 40543594

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-4-ylmethyl)-N,N'-dimethylmethanimidamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-4-ylmethyl)-N,N'-dimethylmethanimidamide (CID 123264875) is N-(4,5-dihydro-1,3-thiazol-4-ylmethyl)-N,N'-dimethylmethanimidamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-4-ylmethyl)-N,N'-dimethylmethanimidamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-4-ylmethyl)-N,N'-dimethylmethanimidamide is C/N=C/N(C)CC1CSC=N1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-4-ylmethyl)-N,N'-dimethylmethanimidamide?
The InChIKey is UUPZGIDJBJMIEZ-VMPITWQZSA-N. The full InChI is InChI=1S/C7H13N3S/c1-8-5-10(2)3-7-4-11-6-9-7/h5-7H,3-4H2,1-2H3/b8-5+.
What are the key properties of N-(4,5-dihydro-1,3-thiazol-4-ylmethyl)-N,N'-dimethylmethanimidamide?
N-(4,5-dihydro-1,3-thiazol-4-ylmethyl)-N,N'-dimethylmethanimidamide has a molecular weight of 171.27 g/mol, XLogP of 0.72, 3 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-4-ylmethyl)-N,N'-dimethylmethanimidamide is sourced from PubChem (CID 123264875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).