[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone

C18H20N4OS2 — CID 120639839

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
SMILESNCCc1nc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cs1
InChIInChI=1S/C18H20N4OS2/c19-8-5-16-20-14(11-24-16)18(23)22-9-6-12(7-10-22)17-21-13-3-1-2-4-15(13)25-17/h1-4,11-12H,5-10,19H2
InChIKeyDGDOPHJDNGUGSL-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.27
Rot. Bonds4

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 120639839) has the molecular formula C18H20N4OS2 and a molecular weight of 372.52 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
PubChem CID120639839
Molecular FormulaC18H20N4OS2
Molecular Weight372.52 g/mol
Exact Mass372.11
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
SMILESNCCc1nc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cs1
InChIInChI=1S/C18H20N4OS2/c19-8-5-16-20-14(11-24-16)18(23)22-9-6-12(7-10-22)17-21-13-3-1-2-4-15(13)25-17/h1-4,11-12H,5-10,19H2
InChIKeyDGDOPHJDNGUGSL-UHFFFAOYSA-N
XLogP3.27
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
CID 36703236
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzylpiperidin-1-yl)methanone
CID 120616229
4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]thiophene-2-sulfonamide
CID 134061805
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzylpiperidin-1-yl)methanone;hydrochloride
CID 120616228
4-amino-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119830444
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 1430879
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 27782572
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120636454
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-ethenylpiperidin-1-yl)methanone
CID 120632496
(2S)-2-amino-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-one
CID 79023936
2-[1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]oxyacetic acid
CID 66388408
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 55648137

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone (CID 120639839) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone is NCCc1nc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cs1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is DGDOPHJDNGUGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS2/c19-8-5-16-20-14(11-24-16)18(23)22-9-6-12(7-10-22)17-21-13-3-1-2-4-15(13)25-17/h1-4,11-12H,5-10,19H2.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 372.52 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 120639839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).