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

C10H18N4S — CID 65209104

IUPAC5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CCN(C)CC2)s1
InChIInChI=1S/C10H18N4S/c1-8-12-13-10(15-8)11-7-9-3-5-14(2)6-4-9/h9H,3-7H2,1-2H3,(H,11,13)
InChIKeyCICKKBGSDXZOHN-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.60
Rot. Bonds3

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

5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 65209104) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID65209104
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CCN(C)CC2)s1
InChIInChI=1S/C10H18N4S/c1-8-12-13-10(15-8)11-7-9-3-5-14(2)6-4-9/h9H,3-7H2,1-2H3,(H,11,13)
InChIKeyCICKKBGSDXZOHN-UHFFFAOYSA-N
XLogP1.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648211
5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209321
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 136527461
3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopentan-1-ol
CID 103269830
N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 125436555
5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
2-[[5-[(1-methylpyrrolidin-3-yl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 60855445
5-methyl-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-1,3,4-thiadiazol-2-amine
CID 125446360
N-[(1-methylpiperidin-4-yl)methyl]-5-nitro-1,3-thiazol-2-amine
CID 102770669
5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107647561
N-(cyclopropylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 130685931
methyl 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclohexane-1-carboxylate
CID 108778241

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 65209104) is 5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NCC2CCN(C)CC2)s1.
What is the InChIKey of 5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CICKKBGSDXZOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8-12-13-10(15-8)11-7-9-3-5-14(2)6-4-9/h9H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 226.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65209104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).