1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine

C12H16N2OS — CID 116884656

IUPAC1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1ccc(-c2nc(C)c(CC(C)N)s2)o1
InChIInChI=1S/C12H16N2OS/c1-7(13)6-11-9(3)14-12(16-11)10-5-4-8(2)15-10/h4-5,7H,6,13H2,1-3H3
InChIKeySHZMHJCKQDRMGH-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.91
Rot. Bonds3

About 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine

1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 116884656) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID116884656
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1ccc(-c2nc(C)c(CC(C)N)s2)o1
InChIInChI=1S/C12H16N2OS/c1-7(13)6-11-9(3)14-12(16-11)10-5-4-8(2)15-10/h4-5,7H,6,13H2,1-3H3
InChIKeySHZMHJCKQDRMGH-UHFFFAOYSA-N
XLogP2.91
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
CID 116868204
2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanol
CID 116885384
1-[4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 116884665
methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate
CID 116886343
N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 61282283
4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]butanoic acid
CID 116885461
N-[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61283071
5-methoxy-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 116887586
3-methyl-2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]butanenitrile
CID 116887338
2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]butanenitrile
CID 116887313
1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propan-2-amine
CID 170891330
[1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol
CID 116887023

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine (CID 116884656) is 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine is Cc1ccc(-c2nc(C)c(CC(C)N)s2)o1.
What is the InChIKey of 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is SHZMHJCKQDRMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-7(13)6-11-9(3)14-12(16-11)10-5-4-8(2)15-10/h4-5,7H,6,13H2,1-3H3.
What are the key properties of 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 116884656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).