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

C10H16N6S — CID 80607363

IUPACN-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(C)Cc2nccn2C)s1
InChIInChI=1S/C10H16N6S/c1-11-10-14-13-9(17-10)7-15(2)6-8-12-4-5-16(8)3/h4-5H,6-7H2,1-3H3,(H,11,14)
InChIKeyITGJDZKZMNKWQZ-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.95
Rot. Bonds5

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

N-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80607363) has the molecular formula C10H16N6S and a molecular weight of 252.35 g/mol. Its IUPAC name is N-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80607363
Molecular FormulaC10H16N6S
Molecular Weight252.35 g/mol
Exact Mass252.12
IUPAC NameN-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN(C)Cc2nccn2C)s1
InChIInChI=1S/C10H16N6S/c1-11-10-14-13-9(17-10)7-15(2)6-8-12-4-5-16(8)3/h4-5H,6-7H2,1-3H3,(H,11,14)
InChIKeyITGJDZKZMNKWQZ-UHFFFAOYSA-N
XLogP0.95
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607364
N-methyl-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine
CID 79231213
N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
CID 80608780
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63024435
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
2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanethioamide
CID 63015012
N-tert-butyl-N',2,2-trimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024792
5-[(4-fluorophenyl)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 133466137
1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 86807854
2,2-diethyl-N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024794

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine (CID 80607363) is N-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine is CNc1nnc(CN(C)Cc2nccn2C)s1.
What is the InChIKey of N-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ITGJDZKZMNKWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6S/c1-11-10-14-13-9(17-10)7-15(2)6-8-12-4-5-16(8)3/h4-5H,6-7H2,1-3H3,(H,11,14).
What are the key properties of N-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 252.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).