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

C13H24N4OS — CID 107510392

IUPAC[4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(N2CCN(C)C(C)(C)C2)sc1CN
InChIInChI=1S/C13H24N4OS/c1-13(2)9-17(6-5-16(13)3)12-15-10(8-18-4)11(7-14)19-12/h5-9,14H2,1-4H3
InChIKeyQNYJPWDCUJPBPJ-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.28
Rot. Bonds4

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

[4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 107510392) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is [4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID107510392
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name[4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(N2CCN(C)C(C)(C)C2)sc1CN
InChIInChI=1S/C13H24N4OS/c1-13(2)9-17(6-5-16(13)3)12-15-10(8-18-4)11(7-14)19-12/h5-9,14H2,1-4H3
InChIKeyQNYJPWDCUJPBPJ-UHFFFAOYSA-N
XLogP1.28
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510369
[2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510564
[4-(methoxymethyl)-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 107510048
[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510269
[4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 107510397
4-chloro-5-(chloromethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole
CID 80688419
3-ethyl-5-(3,3,4-trimethylpiperazin-1-yl)-1,2,4-thiadiazole
CID 126823483
N-[[2-(2,2-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510775
methyl 5-acetyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 106697647
ethyl 5-methyl-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 116526878
[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510725
2-[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 82441915

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 107510392) is [4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine is COCc1nc(N2CCN(C)C(C)(C)C2)sc1CN.
What is the InChIKey of [4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is QNYJPWDCUJPBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-13(2)9-17(6-5-16(13)3)12-15-10(8-18-4)11(7-14)19-12/h5-9,14H2,1-4H3.
What are the key properties of [4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 284.43 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 107510392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).