N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(furan-2-ylmethyl)piperidin-4-amine

C18H27N3OS — CID 56710911

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(furan-2-ylmethyl)piperidin-4-amine
SMILESCCC(NC1CCN(Cc2ccco2)CC1)c1nc(C)c(C)s1
InChIInChI=1S/C18H27N3OS/c1-4-17(18-19-13(2)14(3)23-18)20-15-7-9-21(10-8-15)12-16-6-5-11-22-16/h5-6,11,15,17,20H,4,7-10,12H2,1-3H3
InChIKeyGYAWXARMXHKBGL-UHFFFAOYSA-N
MW333.50 g/mol
LogP4.06
Rot. Bonds6

About N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(furan-2-ylmethyl)piperidin-4-amine

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(furan-2-ylmethyl)piperidin-4-amine (PubChem CID 56710911) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(furan-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(furan-2-ylmethyl)piperidin-4-amine
PubChem CID56710911
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(furan-2-ylmethyl)piperidin-4-amine
SMILESCCC(NC1CCN(Cc2ccco2)CC1)c1nc(C)c(C)s1
InChIInChI=1S/C18H27N3OS/c1-4-17(18-19-13(2)14(3)23-18)20-15-7-9-21(10-8-15)12-16-6-5-11-22-16/h5-6,11,15,17,20H,4,7-10,12H2,1-3H3
InChIKeyGYAWXARMXHKBGL-UHFFFAOYSA-N
XLogP4.06
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]cyclopropanamine
CID 61334276
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
1-(furan-2-ylmethyl)-N-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]piperidin-4-amine
CID 125445625
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
1-(furan-2-ylmethyl)-4-pentan-3-ylpiperazine
CID 764594
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide
CID 110308157
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine
CID 61335837
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 72918182
3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430
1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine
CID 50979377
5-ethyl-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 16888212
N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 24732692

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(furan-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(furan-2-ylmethyl)piperidin-4-amine (CID 56710911) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(furan-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(furan-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(furan-2-ylmethyl)piperidin-4-amine is CCC(NC1CCN(Cc2ccco2)CC1)c1nc(C)c(C)s1.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(furan-2-ylmethyl)piperidin-4-amine?
The InChIKey is GYAWXARMXHKBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS/c1-4-17(18-19-13(2)14(3)23-18)20-15-7-9-21(10-8-15)12-16-6-5-11-22-16/h5-6,11,15,17,20H,4,7-10,12H2,1-3H3.
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(furan-2-ylmethyl)piperidin-4-amine?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(furan-2-ylmethyl)piperidin-4-amine has a molecular weight of 333.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(furan-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 56710911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).