4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine

C12H22N4S — CID 78986654

IUPAC4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(CCC(C)C)C1CC1
InChIInChI=1S/C12H22N4S/c1-9(2)6-7-16(10-4-5-10)8-11-12(13-3)17-15-14-11/h9-10,13H,4-8H2,1-3H3
InChIKeyKEKINYOYAIBNHU-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.59
Rot. Bonds7

About 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine

4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine (PubChem CID 78986654) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine
PubChem CID78986654
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(CCC(C)C)C1CC1
InChIInChI=1S/C12H22N4S/c1-9(2)6-7-16(10-4-5-10)8-11-12(13-3)17-15-14-11/h9-10,13H,4-8H2,1-3H3
InChIKeyKEKINYOYAIBNHU-UHFFFAOYSA-N
XLogP2.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol
CID 62208996
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62182823
4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine
CID 64522833
4-[[butan-2-yl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62182204
N-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine
CID 62183083
2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]propan-1-ol
CID 104554389
N-methyl-4-[[methyl-(2-methyloxolan-3-yl)amino]methyl]thiadiazol-5-amine
CID 82744226
N-[[5-(methylaminomethyl)furan-2-yl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 78989912
N-methyl-2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 62183804
N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine
CID 107557209
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 78974466
4-[(3,4-dimethylcyclohexyl)oxymethyl]-N-methylthiadiazol-5-amine
CID 64747166

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine (CID 78986654) is 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine is CNc1snnc1CN(CCC(C)C)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine?
The InChIKey is KEKINYOYAIBNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-9(2)6-7-16(10-4-5-10)8-11-12(13-3)17-15-14-11/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine?
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine has a molecular weight of 254.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(3-methylbutyl)amino]methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 78986654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).