N-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine

C10H15N5S — CID 105148825

IUPACN-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCCCn1ccnc1C(NC)c1cnsn1
InChIInChI=1S/C10H15N5S/c1-3-5-15-6-4-12-10(15)9(11-2)8-7-13-16-14-8/h4,6-7,9,11H,3,5H2,1-2H3
InChIKeyIBUZWCDGMNNOBU-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.45
Rot. Bonds5

About N-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine

N-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine (PubChem CID 105148825) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
PubChem CID105148825
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCCCn1ccnc1C(NC)c1cnsn1
InChIInChI=1S/C10H15N5S/c1-3-5-15-6-4-12-10(15)9(11-2)8-7-13-16-14-8/h4,6-7,9,11H,3,5H2,1-2H3
InChIKeyIBUZWCDGMNNOBU-UHFFFAOYSA-N
XLogP1.45
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(1-propylimidazol-2-yl)-1-(thiadiazol-5-yl)methanamine
CID 65215167
N-methyl-1-(1-propylimidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65152000
N-methyl-1-(1-propylimidazol-2-yl)-1-pyridin-3-ylmethanamine
CID 61318146
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 61319379
1-(2,6-difluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61318962
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 79781127
N-methyl-1-(4-methylsulfanylphenyl)-1-(1-propylimidazol-2-yl)methanamine
CID 79206742
1-(1-ethylimidazol-2-yl)-N-methyl-1-(1,3-thiazol-4-yl)methanamine
CID 63022367
N-[(5-methylpyrazin-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 105148936
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61317941
1-(2-bromo-4-fluorophenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61317535
N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine
CID 65135355

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine (CID 105148825) is N-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine is CCCn1ccnc1C(NC)c1cnsn1.
What is the InChIKey of N-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
The InChIKey is IBUZWCDGMNNOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-3-5-15-6-4-12-10(15)9(11-2)8-7-13-16-14-8/h4,6-7,9,11H,3,5H2,1-2H3.
What are the key properties of N-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
N-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine has a molecular weight of 237.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-propylimidazol-2-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine is sourced from PubChem (CID 105148825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).