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

C13H18N2OS — CID 116965222

IUPAC2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCc1ccc(-c2csc(CC(C)(C)CN)n2)o1
InChIInChI=1S/C13H18N2OS/c1-9-4-5-11(16-9)10-7-17-12(15-10)6-13(2,3)8-14/h4-5,7H,6,8,14H2,1-3H3
InChIKeyVYXZXMJADUIDOT-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.24
Rot. Bonds4

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

2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 116965222) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID116965222
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCc1ccc(-c2csc(CC(C)(C)CN)n2)o1
InChIInChI=1S/C13H18N2OS/c1-9-4-5-11(16-9)10-7-17-12(15-10)6-13(2,3)8-14/h4-5,7H,6,8,14H2,1-3H3
InChIKeyVYXZXMJADUIDOT-UHFFFAOYSA-N
XLogP3.24
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methylfuran-2-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 116969911
2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965205
N-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62544012
ethyl 2-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetate
CID 43120367
2-bromo-4-(5-methylfuran-2-yl)-1,3-thiazole
CID 112623649
2-methyl-1-[4-methyl-6-(5-methylfuran-2-yl)pyrimidin-2-yl]propan-2-amine
CID 116892858
4-(5-methylfuran-2-yl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
CID 63333142
2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965203
3-amino-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanoic acid
CID 116966881
1-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]cycloheptan-1-amine
CID 61339023
3-(5-methylfuran-2-yl)-1,2-oxazol-5-amine
CID 28780619
3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116968292

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propan-1-amine (CID 116965222) is 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propan-1-amine is Cc1ccc(-c2csc(CC(C)(C)CN)n2)o1.
What is the InChIKey of 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is VYXZXMJADUIDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9-4-5-11(16-9)10-7-17-12(15-10)6-13(2,3)8-14/h4-5,7H,6,8,14H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 250.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 116965222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).