N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine

C16H23ClN2OS — CID 106692687

IUPACN-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C(C)(C)C)cs1)c1ccc(Cl)o1
InChIInChI=1S/C16H23ClN2OS/c1-5-8-18-11(12-6-7-14(17)20-12)9-15-19-13(10-21-15)16(2,3)4/h6-7,10-11,18H,5,8-9H2,1-4H3
InChIKeyXFFCMEAMCPLMFG-UHFFFAOYSA-N
MW326.89 g/mol
LogP4.97
Rot. Bonds6

About N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine (PubChem CID 106692687) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine
PubChem CID106692687
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C(C)(C)C)cs1)c1ccc(Cl)o1
InChIInChI=1S/C16H23ClN2OS/c1-5-8-18-11(12-6-7-14(17)20-12)9-15-19-13(10-21-15)16(2,3)4/h6-7,10-11,18H,5,8-9H2,1-4H3
InChIKeyXFFCMEAMCPLMFG-UHFFFAOYSA-N
XLogP4.97
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 79825756
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 105016055
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715970
N-[1-(5-chlorofuran-2-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 106691522
[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chlorofuran-3-yl)ethyl]hydrazine
CID 106694611
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine
CID 103169196
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105016097
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107004791
N-[[5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 106887624
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105169530
N-[1-(5-chlorofuran-2-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064238
N-[1-(5-chlorofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065126

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine (CID 106692687) is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nc(C(C)(C)C)cs1)c1ccc(Cl)o1.
What is the InChIKey of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine?
The InChIKey is XFFCMEAMCPLMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS/c1-5-8-18-11(12-6-7-14(17)20-12)9-15-19-13(10-21-15)16(2,3)4/h6-7,10-11,18H,5,8-9H2,1-4H3.
What are the key properties of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine?
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine has a molecular weight of 326.89 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-chlorofuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106692687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).