5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine

C12H22N4S — CID 107165740

IUPAC5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC1(C)CCN(C)CC1
InChIInChI=1S/C12H22N4S/c1-9-10(13)15-17-11(9)14-8-12(2)4-6-16(3)7-5-12/h14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyOIJNRADNLQYZEK-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.18
Rot. Bonds3

About 5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine

5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 107165740) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID107165740
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC1(C)CCN(C)CC1
InChIInChI=1S/C12H22N4S/c1-9-10(13)15-17-11(9)14-8-12(2)4-6-16(3)7-5-12/h14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyOIJNRADNLQYZEK-UHFFFAOYSA-N
XLogP2.18
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine (CID 107165740) is 5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCC1(C)CCN(C)CC1.
What is the InChIKey of 5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is OIJNRADNLQYZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-9-10(13)15-17-11(9)14-8-12(2)4-6-16(3)7-5-12/h14H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 254.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 107165740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).