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

C9H15BrN4S — CID 64624936

IUPAC5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCN1CCC(CN(C)c2nnc(Br)s2)C1
InChIInChI=1S/C9H15BrN4S/c1-13-4-3-7(5-13)6-14(2)9-12-11-8(10)15-9/h7H,3-6H2,1-2H3
InChIKeyMQTCMWSZMAHSKX-UHFFFAOYSA-N
MW291.22 g/mol
LogP1.69
Rot. Bonds3

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

5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64624936) has the molecular formula C9H15BrN4S and a molecular weight of 291.22 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID64624936
Molecular FormulaC9H15BrN4S
Molecular Weight291.22 g/mol
Exact Mass290.02
IUPAC Name5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCN1CCC(CN(C)c2nnc(Br)s2)C1
InChIInChI=1S/C9H15BrN4S/c1-13-4-3-7(5-13)6-14(2)9-12-11-8(10)15-9/h7H,3-6H2,1-2H3
InChIKeyMQTCMWSZMAHSKX-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine
CID 64623703
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 131930333
5-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 115424466
[4-cyclopropyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,3-thiazol-5-yl]methanol
CID 63915678
4-bromo-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79399549
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977963
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-thiazol-2-amine
CID 107510376
[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]mercury
CID 144727808
5-bromo-4-N,6-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 114072288
4,5-dibromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 78942000
(1R)-1-[3-bromo-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol
CID 78941209
4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63274020

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 64624936) is 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine is CN1CCC(CN(C)c2nnc(Br)s2)C1.
What is the InChIKey of 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MQTCMWSZMAHSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4S/c1-13-4-3-7(5-13)6-14(2)9-12-11-8(10)15-9/h7H,3-6H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 291.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64624936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).