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

C10H11ClN2OS — CID 79764459

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
SMILESCN(Cc1ccco1)Cc1cnc(Cl)s1
InChIInChI=1S/C10H11ClN2OS/c1-13(6-8-3-2-4-14-8)7-9-5-12-10(11)15-9/h2-5H,6-7H2,1H3
InChIKeyQAJZMGCPUKCPIJ-UHFFFAOYSA-N
MW242.73 g/mol
LogP3.02
Rot. Bonds4

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine (PubChem CID 79764459) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
PubChem CID79764459
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
SMILESCN(Cc1ccco1)Cc1cnc(Cl)s1
InChIInChI=1S/C10H11ClN2OS/c1-13(6-8-3-2-4-14-8)7-9-5-12-10(11)15-9/h2-5H,6-7H2,1H3
InChIKeyQAJZMGCPUKCPIJ-UHFFFAOYSA-N
XLogP3.02
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
N-(2-fluorophenyl)-5-[[furan-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
CID 31193723
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 79765216
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2,2-difluoro-N-methylethanamine
CID 115681800
N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79764595
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 62189221
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine
CID 79765082
1-(furan-2-yl)-N-methyl-N-(quinolin-3-ylmethyl)methanamine
CID 23936129
1-(2-chloro-1,3-thiazol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 79765350
2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
CID 43526580
5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62891483
5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771182

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine (CID 79764459) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine is CN(Cc1ccco1)Cc1cnc(Cl)s1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine?
The InChIKey is QAJZMGCPUKCPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-13(6-8-3-2-4-14-8)7-9-5-12-10(11)15-9/h2-5H,6-7H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine has a molecular weight of 242.73 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 79764459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).