N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine

C16H23N3OS — CID 64539505

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
SMILESCc1nc(C)c(CNCC(c2ccco2)N2CCCC2)s1
InChIInChI=1S/C16H23N3OS/c1-12-16(21-13(2)18-12)11-17-10-14(15-6-5-9-20-15)19-7-3-4-8-19/h5-6,9,14,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyUXCOEBTYBFYQPZ-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.28
Rot. Bonds6

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine (PubChem CID 64539505) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
PubChem CID64539505
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
SMILESCc1nc(C)c(CNCC(c2ccco2)N2CCCC2)s1
InChIInChI=1S/C16H23N3OS/c1-12-16(21-13(2)18-12)11-17-10-14(15-6-5-9-20-15)19-7-3-4-8-19/h5-6,9,14,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyUXCOEBTYBFYQPZ-UHFFFAOYSA-N
XLogP3.28
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine with MolForge

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Related Compounds

(2R)-2-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 51627380
(2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 9453091
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 94180275
2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43181232
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 104878381
(2R)-2-(furan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 93257792
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]guanidine
CID 111765163
2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 43181246
N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43081423
4-[[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methyl]phenol
CID 43181226

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine (CID 64539505) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine is Cc1nc(C)c(CNCC(c2ccco2)N2CCCC2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is UXCOEBTYBFYQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-12-16(21-13(2)18-12)11-17-10-14(15-6-5-9-20-15)19-7-3-4-8-19/h5-6,9,14,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 305.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 64539505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).