5-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine

C12H22N4S2 — CID 103359441

IUPAC5-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCCN1CCC(C)CC1
InChIInChI=1S/C12H22N4S2/c1-9-3-6-16(7-4-9)8-5-14-12-10(17-2)11(13)15-18-12/h9,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyBJDBAYJWOUEWRD-UHFFFAOYSA-N
MW286.47 g/mol
LogP2.59
Rot. Bonds5

About 5-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine

5-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103359441) has the molecular formula C12H22N4S2 and a molecular weight of 286.47 g/mol. Its IUPAC name is 5-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103359441
Molecular FormulaC12H22N4S2
Molecular Weight286.47 g/mol
Exact Mass286.13
IUPAC Name5-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCCN1CCC(C)CC1
InChIInChI=1S/C12H22N4S2/c1-9-3-6-16(7-4-9)8-5-14-12-10(17-2)11(13)15-18-12/h9,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyBJDBAYJWOUEWRD-UHFFFAOYSA-N
XLogP2.59
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methylsulfanyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 113807007
4-Methylsulfanyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 113807009
4-cyclopropylsulfonyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103348993
5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359184
4-ethylsulfonyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359190
4-methyl-5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359192
5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359228
5-N-[2-(dimethylamino)propyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359270
5-N-(4-methylpentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359304
5-N-(1-ethylpiperidin-4-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359344
5-N-(1-ethylpiperidin-3-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359370
5-N-(1-ethylpiperidin-3-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359371

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103359441) is 5-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NCCN1CCC(C)CC1.
What is the InChIKey of 5-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is BJDBAYJWOUEWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S2/c1-9-3-6-16(7-4-9)8-5-14-12-10(17-2)11(13)15-18-12/h9,14H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 5-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 286.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).