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

C13H19N5S2 — CID 82424784

IUPACN-methyl-5-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2cnc(CN3CCC(C)CC3)s2)s1
InChIInChI=1S/C13H19N5S2/c1-9-3-5-18(6-4-9)8-11-15-7-10(19-11)12-16-17-13(14-2)20-12/h7,9H,3-6,8H2,1-2H3,(H,14,17)
InChIKeyCAJKPWVWFCKHKG-UHFFFAOYSA-N
MW309.46 g/mol
LogP2.94
Rot. Bonds4

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

N-methyl-5-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 82424784) has the molecular formula C13H19N5S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-methyl-5-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID82424784
Molecular FormulaC13H19N5S2
Molecular Weight309.46 g/mol
Exact Mass309.11
IUPAC NameN-methyl-5-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2cnc(CN3CCC(C)CC3)s2)s1
InChIInChI=1S/C13H19N5S2/c1-9-3-5-18(6-4-9)8-11-15-7-10(19-11)12-16-17-13(14-2)20-12/h7,9H,3-6,8H2,1-2H3,(H,14,17)
InChIKeyCAJKPWVWFCKHKG-UHFFFAOYSA-N
XLogP2.94
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82424866
N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 80608247
N-methyl-4-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 82515501
N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82424843
3-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82424788
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
N-butan-2-yl-5-(2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82422488
5-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80608509
N-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine
CID 158263053
1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
CID 104517036
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 80615425
5-ethyl-2-[(3-methylazetidin-1-yl)methyl]-1,3-thiazole
CID 131020524

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (CID 82424784) is N-methyl-5-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2cnc(CN3CCC(C)CC3)s2)s1.
What is the InChIKey of N-methyl-5-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CAJKPWVWFCKHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S2/c1-9-3-5-18(6-4-9)8-11-15-7-10(19-11)12-16-17-13(14-2)20-12/h7,9H,3-6,8H2,1-2H3,(H,14,17).
What are the key properties of N-methyl-5-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 309.46 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82424784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).