5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

C10H17BrN4S — CID 64622641

IUPAC5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCN1CCC(Nc2nnc(Br)s2)CC1
InChIInChI=1S/C10H17BrN4S/c1-2-5-15-6-3-8(4-7-15)12-10-14-13-9(11)16-10/h8H,2-7H2,1H3,(H,12,14)
InChIKeyPRWYMQSWKHGJED-UHFFFAOYSA-N
MW305.25 g/mol
LogP2.59
Rot. Bonds4

About 5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 64622641) has the molecular formula C10H17BrN4S and a molecular weight of 305.25 g/mol. Its IUPAC name is 5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID64622641
Molecular FormulaC10H17BrN4S
Molecular Weight305.25 g/mol
Exact Mass304.04
IUPAC Name5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCN1CCC(Nc2nnc(Br)s2)CC1
InChIInChI=1S/C10H17BrN4S/c1-2-5-15-6-3-8(4-7-15)12-10-14-13-9(11)16-10/h8H,2-7H2,1H3,(H,12,14)
InChIKeyPRWYMQSWKHGJED-UHFFFAOYSA-N
XLogP2.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,6-Dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
CID 5307348
5-(2-Methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
CID 3237818
(3S,4R)-1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-ethyl-3-fluoropiperidin-4-amine
CID 170024928
5-(4-Piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
CID 6917209
5-(1-Piperidin-4-ylpiperidin-1-ium-1-yl)-1,3,4-thiadiazol-2-amine
CID 67053287
5-Bromo-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 86727129
5-bromo-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 90282612
2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine
CID 121256472
5-N-ethyl-2-N-methyl-2-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine
CID 153383652
N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane
CID 153404964
5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1,3,4-thiadiazol-2-amine
CID 51397970
5-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1,3,4-thiadiazol-2-amine
CID 51397971

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 64622641) is 5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is CCCN1CCC(Nc2nnc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is PRWYMQSWKHGJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4S/c1-2-5-15-6-3-8(4-7-15)12-10-14-13-9(11)16-10/h8H,2-7H2,1H3,(H,12,14).
What are the key properties of 5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 305.25 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64622641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).