N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C14H18N2OS — CID 64541204

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCc1nc(C)c(CNC2CCCc3occc32)s1
InChIInChI=1S/C14H18N2OS/c1-9-14(18-10(2)16-9)8-15-12-4-3-5-13-11(12)6-7-17-13/h6-7,12,15H,3-5,8H2,1-2H3
InChIKeyMNGDXAIWYWERHC-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.52
Rot. Bonds3

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 64541204) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID64541204
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCc1nc(C)c(CNC2CCCc3occc32)s1
InChIInChI=1S/C14H18N2OS/c1-9-14(18-10(2)16-9)8-15-12-4-3-5-13-11(12)6-7-17-13/h6-7,12,15H,3-5,8H2,1-2H3
InChIKeyMNGDXAIWYWERHC-UHFFFAOYSA-N
XLogP3.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine with MolForge

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Related Compounds

N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 81499013
N-[(2,3-dimethylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 54941936
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466418
N-[(1-methylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 66399566
N-[(4-cyclopropylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 79969251
N-(1,2-oxazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106415750
N-[(2-methoxy-5-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43431605
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 64541854
N-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208228
4-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
CID 43208224
N-(2H-tetrazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466452
2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine
CID 115466125

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 64541204) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is Cc1nc(C)c(CNC2CCCc3occc32)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is MNGDXAIWYWERHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-14(18-10(2)16-9)8-15-12-4-3-5-13-11(12)6-7-17-13/h6-7,12,15H,3-5,8H2,1-2H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 262.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 64541204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).