[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride

C17H23Cl2N3O2S — CID 119623467

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(c1cnc(-c2ccco2)s1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H21N3O2S.2ClH/c21-17(15-11-19-16(23-15)14-2-1-9-22-14)20-7-5-13(6-8-20)18-10-12-3-4-12;;/h1-2,9,11-13,18H,3-8,10H2;2*1H
InChIKeyMCHCNOCUSWEFOL-UHFFFAOYSA-N
MW404.36 g/mol
LogP3.85
Rot. Bonds5

About [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride

[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride (PubChem CID 119623467) has the molecular formula C17H23Cl2N3O2S and a molecular weight of 404.36 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
PubChem CID119623467
Molecular FormulaC17H23Cl2N3O2S
Molecular Weight404.36 g/mol
Exact Mass403.09
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(c1cnc(-c2ccco2)s1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H21N3O2S.2ClH/c21-17(15-11-19-16(23-15)14-2-1-9-22-14)20-7-5-13(6-8-20)18-10-12-3-4-12;;/h1-2,9,11-13,18H,3-8,10H2;2*1H
InChIKeyMCHCNOCUSWEFOL-UHFFFAOYSA-N
XLogP3.85
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride with MolForge

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119621955
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone
CID 119663063
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103807435
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71878575
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(7S)-7-methyl-1,1-dioxo-1,4-thiazepan-4-yl]methanone
CID 124624103
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone
CID 120656276
[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 119622400
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650303
[3-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119594711
N-(2-aminoethyl)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide;dihydrochloride
CID 119480750
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95314942
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341522

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride (CID 119623467) is [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride is Cl.Cl.O=C(c1cnc(-c2ccco2)s1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
The InChIKey is MCHCNOCUSWEFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S.2ClH/c21-17(15-11-19-16(23-15)14-2-1-9-22-14)20-7-5-13(6-8-20)18-10-12-3-4-12;;/h1-2,9,11-13,18H,3-8,10H2;2*1H.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride?
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride has a molecular weight of 404.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride is sourced from PubChem (CID 119623467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).