[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone

C13H19N7OS — CID 154872543

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESNCCc1nc(C(=O)N2CCCC(Cc3nn[nH]n3)C2)cs1
InChIInChI=1S/C13H19N7OS/c14-4-3-12-15-10(8-22-12)13(21)20-5-1-2-9(7-20)6-11-16-18-19-17-11/h8-9H,1-7,14H2,(H,16,17,18,19)
InChIKeyWRPXDNMZFODQKW-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.25
Rot. Bonds5

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 154872543) has the molecular formula C13H19N7OS and a molecular weight of 321.41 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID154872543
Molecular FormulaC13H19N7OS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESNCCc1nc(C(=O)N2CCCC(Cc3nn[nH]n3)C2)cs1
InChIInChI=1S/C13H19N7OS/c14-4-3-12-15-10(8-22-12)13(21)20-5-1-2-9(7-20)6-11-16-18-19-17-11/h8-9H,1-7,14H2,(H,16,17,18,19)
InChIKeyWRPXDNMZFODQKW-UHFFFAOYSA-N
XLogP0.25
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]methylurea
CID 66388331
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-ethylazepan-1-yl)methanone
CID 66390147
2-[1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetic acid
CID 66390543
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone
CID 66390633
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone
CID 66390979
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120625539
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120633481
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(cyclohexylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641312
[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807837
1-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120629970
[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone;hydrochloride
CID 119807836
[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97131598

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone (CID 154872543) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone is NCCc1nc(C(=O)N2CCCC(Cc3nn[nH]n3)C2)cs1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is WRPXDNMZFODQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7OS/c14-4-3-12-15-10(8-22-12)13(21)20-5-1-2-9(7-20)6-11-16-18-19-17-11/h8-9H,1-7,14H2,(H,16,17,18,19).
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 321.41 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-[3-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 154872543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).