N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine

C15H15ClN2OS — CID 82705807

IUPACN-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCc1c(Cl)oc2ccccc12)c1nccs1
InChIInChI=1S/C15H15ClN2OS/c1-2-12(15-17-7-8-20-15)18-9-11-10-5-3-4-6-13(10)19-14(11)16/h3-8,12,18H,2,9H2,1H3
InChIKeyZAYPQCMCFLZABZ-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.78
Rot. Bonds5

About N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine

N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 82705807) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID82705807
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCc1c(Cl)oc2ccccc12)c1nccs1
InChIInChI=1S/C15H15ClN2OS/c1-2-12(15-17-7-8-20-15)18-9-11-10-5-3-4-6-13(10)19-14(11)16/h3-8,12,18H,2,9H2,1H3
InChIKeyZAYPQCMCFLZABZ-UHFFFAOYSA-N
XLogP4.78
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 82760038
N-[(2-cyclopropylphenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 79888731
3-[(2-chloro-1-benzofuran-3-yl)methylamino]pentanenitrile
CID 82760289
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 82704686
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
2,6-dichloro-4-[[1-(1,3-thiazol-2-yl)propylamino]methyl]aniline
CID 82841050
1-(2-chloro-1-benzofuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 82705338
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 81144527
4-[[1-(1,3-thiazol-2-yl)propylamino]methyl]benzene-1,2,3-triol
CID 103953541
N'-hydroxy-2-[[1-(1,3-thiazol-2-yl)propylamino]methyl]benzenecarboximidamide
CID 77045231
1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol
CID 103866198
2-[5-[[1-(1,3-thiazol-2-yl)propylamino]methyl]thiophen-2-yl]acetic acid
CID 82894965

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine (CID 82705807) is N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine is CCC(NCc1c(Cl)oc2ccccc12)c1nccs1.
What is the InChIKey of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is ZAYPQCMCFLZABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-2-12(15-17-7-8-20-15)18-9-11-10-5-3-4-6-13(10)19-14(11)16/h3-8,12,18H,2,9H2,1H3.
What are the key properties of N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 306.82 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 82705807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).