5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine

C12H23N5S — CID 125446360

IUPAC5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC[C@@H](C)N2CCN(C)CC2)s1
InChIInChI=1S/C12H23N5S/c1-10(17-8-6-16(3)7-9-17)4-5-13-12-15-14-11(2)18-12/h10H,4-9H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyDOQINULUMWAXQW-SNVBAGLBSA-N
MW269.42 g/mol
LogP1.28
Rot. Bonds5

About 5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine

5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine (PubChem CID 125446360) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is 5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine
PubChem CID125446360
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC Name5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC[C@@H](C)N2CCN(C)CC2)s1
InChIInChI=1S/C12H23N5S/c1-10(17-8-6-16(3)7-9-17)4-5-13-12-15-14-11(2)18-12/h10H,4-9H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyDOQINULUMWAXQW-SNVBAGLBSA-N
XLogP1.28
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine
CID 122556918
5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine
CID 65209322
5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209104
N-ethyl-3-(4-methylpiperazin-1-yl)butan-1-amine
CID 62437944
N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine
CID 97120157
5-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperazin-1-yl)propyl]-1,3,4-thiadiazol-2-amine
CID 133457119
N'-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 65209500
4-cyclobutyl-6-methyl-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-amine
CID 56861895
3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 64982534
1-methyl-4-[(2R)-pentan-2-yl]piperazine
CID 97304611
N-(2,2-difluoroethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 79098164
5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209321

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine (CID 125446360) is 5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NCC[C@@H](C)N2CCN(C)CC2)s1.
What is the InChIKey of 5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is DOQINULUMWAXQW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H23N5S/c1-10(17-8-6-16(3)7-9-17)4-5-13-12-15-14-11(2)18-12/h10H,4-9H2,1-3H3,(H,13,15)/t10-/m1/s1.
What are the key properties of 5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 269.42 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 125446360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).