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

C13H23N3OS — CID 82441546

IUPAC[4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(CN2CCC(C)CC2)sc1CN
InChIInChI=1S/C13H23N3OS/c1-10-3-5-16(6-4-10)8-13-15-11(9-17-2)12(7-14)18-13/h10H,3-9,14H2,1-2H3
InChIKeyKDVRVPLNERHPKU-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.98
Rot. Bonds5

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

[4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82441546) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82441546
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name[4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(CN2CCC(C)CC2)sc1CN
InChIInChI=1S/C13H23N3OS/c1-10-3-5-16(6-4-10)8-13-15-11(9-17-2)12(7-14)18-13/h10H,3-9,14H2,1-2H3
InChIKeyKDVRVPLNERHPKU-UHFFFAOYSA-N
XLogP1.98
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82427518
[4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 107510397
[4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82441519
[4-(methoxymethyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanamine
CID 82441701
[4-(methoxymethyl)-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82441582
2-[4-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82430560
[2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510564
2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82427520
[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510269
2-[4-(methoxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82441563
1-[2-[(4-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine
CID 82433019
5-(aminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 107509510

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine (CID 82441546) is [4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine is COCc1nc(CN2CCC(C)CC2)sc1CN.
What is the InChIKey of [4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is KDVRVPLNERHPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10-3-5-16(6-4-10)8-13-15-11(9-17-2)12(7-14)18-13/h10H,3-9,14H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine?
[4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 269.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82441546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).