N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine

C11H18N6S — CID 80607364

IUPACN-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(C)Cc2nccn2C)s1
InChIInChI=1S/C11H18N6S/c1-4-12-11-15-14-10(18-11)8-16(2)7-9-13-5-6-17(9)3/h5-6H,4,7-8H2,1-3H3,(H,12,15)
InChIKeyWCUVIGQHPPQNFW-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.34
Rot. Bonds6

About N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine

N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80607364) has the molecular formula C11H18N6S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80607364
Molecular FormulaC11H18N6S
Molecular Weight266.37 g/mol
Exact Mass266.13
IUPAC NameN-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(C)Cc2nccn2C)s1
InChIInChI=1S/C11H18N6S/c1-4-12-11-15-14-10(18-11)8-16(2)7-9-13-5-6-17(9)3/h5-6H,4,7-8H2,1-3H3,(H,12,15)
InChIKeyWCUVIGQHPPQNFW-UHFFFAOYSA-N
XLogP1.34
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607363
N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine
CID 55145577
N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025130
2-methyl-N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 63025857
N-methyl-1-(1-methylimidazol-2-yl)-N-[(1-propyltetrazol-5-yl)methyl]methanamine
CID 71943990
5-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]pentan-1-ol
CID 107204436
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl-methylamino]-N-methylacetamide
CID 80606572
N-ethyl-5-[(4-ethyl-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine
CID 80607542
N-tert-butyl-N',2,2-trimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024792
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanamide
CID 63024945
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 86807854

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine (CID 80607364) is N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(CN(C)Cc2nccn2C)s1.
What is the InChIKey of N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is WCUVIGQHPPQNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6S/c1-4-12-11-15-14-10(18-11)8-16(2)7-9-13-5-6-17(9)3/h5-6H,4,7-8H2,1-3H3,(H,12,15).
What are the key properties of N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 266.37 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).