N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine

C14H19N3OS — CID 66390382

IUPACN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
SMILESCC(N)c1nc(CN(Cc2ccco2)C2CC2)cs1
InChIInChI=1S/C14H19N3OS/c1-10(15)14-16-11(9-19-14)7-17(12-4-5-12)8-13-3-2-6-18-13/h2-3,6,9-10,12H,4-5,7-8,15H2,1H3
InChIKeySMGHMIJRWSWRKQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.92
Rot. Bonds6

About N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine

N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine (PubChem CID 66390382) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
PubChem CID66390382
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
SMILESCC(N)c1nc(CN(Cc2ccco2)C2CC2)cs1
InChIInChI=1S/C14H19N3OS/c1-10(15)14-16-11(9-19-14)7-17(12-4-5-12)8-13-3-2-6-18-13/h2-3,6,9-10,12H,4-5,7-8,15H2,1H3
InChIKeySMGHMIJRWSWRKQ-UHFFFAOYSA-N
XLogP2.92
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 75364199
CID 75364199
(5-(2-Methyl-1,3-thiazol-4-yl)furan-2-yl)methanamine
CID 7131884
(2-(Furan-2-yl)-1,3-thiazol-4-yl)methanamine
CID 60718965
2-(Furan-2-yl)-1,3-thiazole-4-carbaldehyde
CID 45792407
N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10826541
N,N-dimethyl-2-[4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide
CID 36935480
N-ethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 36956866
N,N-dimethyl-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-sulfonamide
CID 36956955
N-(2-acetamidoethyl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 37658656
2-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 38416914
2-(furan-2-yl)-N-methyl-1,3-thiazole-4-carboxamide
CID 39975237
1-[4-[2-(Furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-3-methylbutan-1-one
CID 39975861

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine (CID 66390382) is N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine is CC(N)c1nc(CN(Cc2ccco2)C2CC2)cs1.
What is the InChIKey of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine?
The InChIKey is SMGHMIJRWSWRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10(15)14-16-11(9-19-14)7-17(12-4-5-12)8-13-3-2-6-18-13/h2-3,6,9-10,12H,4-5,7-8,15H2,1H3.
What are the key properties of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine?
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine has a molecular weight of 277.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 66390382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).