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

C14H24N4OS — CID 107510269

IUPAC[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(N2CCN(CC3CC3)CC2)sc1CN
InChIInChI=1S/C14H24N4OS/c1-19-10-12-13(8-15)20-14(16-12)18-6-4-17(5-7-18)9-11-2-3-11/h11H,2-10,15H2,1H3
InChIKeyWULQUYZRBRHHEM-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.28
Rot. Bonds6

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

[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 107510269) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID107510269
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(N2CCN(CC3CC3)CC2)sc1CN
InChIInChI=1S/C14H24N4OS/c1-19-10-12-13(8-15)20-14(16-12)18-6-4-17(5-7-18)9-11-2-3-11/h11H,2-10,15H2,1H3
InChIKeyWULQUYZRBRHHEM-UHFFFAOYSA-N
XLogP1.28
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(methoxymethyl)-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 107510397
[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
[4-(methoxymethyl)-2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 107510392
[2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol
CID 82441933
N-[[2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441928
[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510725
N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441911
1-[2-(4-cyclopropylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107510256
[2-(2,2-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510369
[4-(methoxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82441546
[4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62777571

Frequently Asked Questions

What is the IUPAC name of [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 107510269) is [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is COCc1nc(N2CCN(CC3CC3)CC2)sc1CN.
What is the InChIKey of [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is WULQUYZRBRHHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-19-10-12-13(8-15)20-14(16-12)18-6-4-17(5-7-18)9-11-2-3-11/h11H,2-10,15H2,1H3.
What are the key properties of [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 296.44 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 107510269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).