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

C14H18ClN3OS — CID 104878381

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
SMILESClc1cnc(CNCC(c2ccco2)N2CCCC2)s1
InChIInChI=1S/C14H18ClN3OS/c15-13-9-17-14(20-13)10-16-8-11(12-4-3-7-19-12)18-5-1-2-6-18/h3-4,7,9,11,16H,1-2,5-6,8,10H2
InChIKeyPHKMONCLHILWJL-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.32
Rot. Bonds6

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

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine (PubChem CID 104878381) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
PubChem CID104878381
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
SMILESClc1cnc(CNCC(c2ccco2)N2CCCC2)s1
InChIInChI=1S/C14H18ClN3OS/c15-13-9-17-14(20-13)10-16-8-11(12-4-3-7-19-12)18-5-1-2-6-18/h3-4,7,9,11,16H,1-2,5-6,8,10H2
InChIKeyPHKMONCLHILWJL-UHFFFAOYSA-N
XLogP3.32
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43081423
(2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 9453091
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 64539505
(2R)-2-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 51627380
2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 43181246
N-(cyclopropylmethyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43654889
4-[[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methyl]phenol
CID 43181226
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-[(4-bromothiophen-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 17483105
(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

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine (CID 104878381) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine is Clc1cnc(CNCC(c2ccco2)N2CCCC2)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is PHKMONCLHILWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c15-13-9-17-14(20-13)10-16-8-11(12-4-3-7-19-12)18-5-1-2-6-18/h3-4,7,9,11,16H,1-2,5-6,8,10H2.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 311.84 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 104878381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).