1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol

C12H16N4OS2 — CID 138023128

IUPAC1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol
SMILESOC1(CNc2nccs2)CCN(c2nccs2)CC1
InChIInChI=1S/C12H16N4OS2/c17-12(9-15-10-13-3-7-18-10)1-5-16(6-2-12)11-14-4-8-19-11/h3-4,7-8,17H,1-2,5-6,9H2,(H,13,15)
InChIKeyAXSRDEJECILHJK-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.04
Rot. Bonds4

About 1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol

1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol (PubChem CID 138023128) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol
PubChem CID138023128
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol
SMILESOC1(CNc2nccs2)CCN(c2nccs2)CC1
InChIInChI=1S/C12H16N4OS2/c17-12(9-15-10-13-3-7-18-10)1-5-16(6-2-12)11-14-4-8-19-11/h3-4,7-8,17H,1-2,5-6,9H2,(H,13,15)
InChIKeyAXSRDEJECILHJK-UHFFFAOYSA-N
XLogP2.04
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 107143585
N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine
CID 115457087
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine
CID 103970472
(4R,5S)-4-methyl-9-(1,3-thiazol-2-yl)-1-oxa-9-azaspiro[5.5]undecane-4,5-diol
CID 135111880
2-[7-(1,3-thiazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]ethanol
CID 97472802
4-cyclohexyl-4-[(1,3-thiazol-2-ylamino)methyl]piperidine-1-carboxylic acid
CID 22185327
2-(4-methylidenepiperidin-1-yl)-1,3-thiazole
CID 55250932
2-[4-(difluoromethylidene)piperidin-1-yl]-1,3-thiazole
CID 166257459
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 51194247
[3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
CID 130562552

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol?
The IUPAC name of 1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol (CID 138023128) is 1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol is OC1(CNc2nccs2)CCN(c2nccs2)CC1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol?
The InChIKey is AXSRDEJECILHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c17-12(9-15-10-13-3-7-18-10)1-5-16(6-2-12)11-14-4-8-19-11/h3-4,7-8,17H,1-2,5-6,9H2,(H,13,15).
What are the key properties of 1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol?
1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol has a molecular weight of 296.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol is sourced from PubChem (CID 138023128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).