[4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine

C13H23N3S — CID 114960021

IUPAC[4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine
SMILESCc1nc(C(C)N2CCC(C)C(CN)C2)cs1
InChIInChI=1S/C13H23N3S/c1-9-4-5-16(7-12(9)6-14)10(2)13-8-17-11(3)15-13/h8-10,12H,4-7,14H2,1-3H3
InChIKeyKCILGCPYAYFRRD-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.43
Rot. Bonds3

About [4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine

[4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine (PubChem CID 114960021) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is [4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine
PubChem CID114960021
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name[4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine
SMILESCc1nc(C(C)N2CCC(C)C(CN)C2)cs1
InChIInChI=1S/C13H23N3S/c1-9-4-5-16(7-12(9)6-14)10(2)13-8-17-11(3)15-13/h8-10,12H,4-7,14H2,1-3H3
InChIKeyKCILGCPYAYFRRD-UHFFFAOYSA-N
XLogP2.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114959869
2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole
CID 130703054
[1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114083156
[4-methyl-1-(1-naphthalen-2-ylethyl)piperidin-3-yl]methanamine
CID 114959925
[1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114959943
[4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine
CID 114960002
1-[1-(2-methyl-1,3-thiazol-4-yl)propyl]piperidine-4-carboxylic acid
CID 67624418
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-methylpropanamide
CID 114961414
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
(4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine
CID 114960944
[1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine
CID 114960156
[(3R)-1-[(1S)-1-pyridin-2-ylethyl]pyrrolidin-3-yl]methanamine
CID 93096967

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine?
The IUPAC name of [4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine (CID 114960021) is [4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine?
The canonical SMILES for [4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine is Cc1nc(C(C)N2CCC(C)C(CN)C2)cs1.
What is the InChIKey of [4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine?
The InChIKey is KCILGCPYAYFRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9-4-5-16(7-12(9)6-14)10(2)13-8-17-11(3)15-13/h8-10,12H,4-7,14H2,1-3H3.
What are the key properties of [4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine?
[4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine has a molecular weight of 253.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 114960021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).