[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine

C12H21N3S — CID 82427494

IUPAC[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(CN2CCCC(C)C2)sc1CN
InChIInChI=1S/C12H21N3S/c1-9-4-3-5-15(7-9)8-12-14-10(2)11(6-13)16-12/h9H,3-8,13H2,1-2H3
InChIKeyBBMQKPRBZSYBFL-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.14
Rot. Bonds3

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

[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82427494) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is [4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82427494
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(CN2CCCC(C)C2)sc1CN
InChIInChI=1S/C12H21N3S/c1-9-4-3-5-15(7-9)8-12-14-10(2)11(6-13)16-12/h9H,3-8,13H2,1-2H3
InChIKeyBBMQKPRBZSYBFL-UHFFFAOYSA-N
XLogP2.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82427518
2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427485
[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82437638
2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82437647
[4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82441519
N-[[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82430524
N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82435281
2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine
CID 124517257
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432991
[5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 107555522
3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82437655
[4-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888835

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine (CID 82427494) is [4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine is Cc1nc(CN2CCCC(C)C2)sc1CN.
What is the InChIKey of [4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is BBMQKPRBZSYBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9-4-3-5-15(7-9)8-12-14-10(2)11(6-13)16-12/h9H,3-8,13H2,1-2H3.
What are the key properties of [4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine?
[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 239.39 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82427494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).