(1R)-3-[2-[(1R)-1-amino-2,2-dimethylpropyl]-1,3-thiazol-4-yl]-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropan-1-amine

C19H31N3OS — CID 142180510

IUPAC(1R)-3-[2-[(1R)-1-amino-2,2-dimethylpropyl]-1,3-thiazol-4-yl]-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropan-1-amine
SMILESCc1cc([C@H](N)C(C)(C)Cc2csc([C@H](N)C(C)(C)C)n2)oc1C
InChIInChI=1S/C19H31N3OS/c1-11-8-14(23-12(11)2)15(20)19(6,7)9-13-10-24-17(22-13)16(21)18(3,4)5/h8,10,15-16H,9,20-21H2,1-7H3/t15-,16-/m0/s1
InChIKeyWFYCVLNQCQQWQT-HOTGVXAUSA-N
MW349.54 g/mol
LogP4.67
Rot. Bonds5

About (1R)-3-[2-[(1R)-1-amino-2,2-dimethylpropyl]-1,3-thiazol-4-yl]-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropan-1-amine

(1R)-3-[2-[(1R)-1-amino-2,2-dimethylpropyl]-1,3-thiazol-4-yl]-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropan-1-amine (PubChem CID 142180510) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is (1R)-3-[2-[(1R)-1-amino-2,2-dimethylpropyl]-1,3-thiazol-4-yl]-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name(1R)-3-[2-[(1R)-1-amino-2,2-dimethylpropyl]-1,3-thiazol-4-yl]-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropan-1-amine
PubChem CID142180510
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC Name(1R)-3-[2-[(1R)-1-amino-2,2-dimethylpropyl]-1,3-thiazol-4-yl]-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropan-1-amine
SMILESCc1cc([C@H](N)C(C)(C)Cc2csc([C@H](N)C(C)(C)C)n2)oc1C
InChIInChI=1S/C19H31N3OS/c1-11-8-14(23-12(11)2)15(20)19(6,7)9-13-10-24-17(22-13)16(21)18(3,4)5/h8,10,15-16H,9,20-21H2,1-7H3/t15-,16-/m0/s1
InChIKeyWFYCVLNQCQQWQT-HOTGVXAUSA-N
XLogP4.67
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-[2-[(1R)-1-amino-2,2-dimethylpropyl]-1,3-thiazol-4-yl]-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of (1R)-3-[2-[(1R)-1-amino-2,2-dimethylpropyl]-1,3-thiazol-4-yl]-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropan-1-amine (CID 142180510) is (1R)-3-[2-[(1R)-1-amino-2,2-dimethylpropyl]-1,3-thiazol-4-yl]-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for (1R)-3-[2-[(1R)-1-amino-2,2-dimethylpropyl]-1,3-thiazol-4-yl]-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for (1R)-3-[2-[(1R)-1-amino-2,2-dimethylpropyl]-1,3-thiazol-4-yl]-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropan-1-amine is Cc1cc([C@H](N)C(C)(C)Cc2csc([C@H](N)C(C)(C)C)n2)oc1C.
What is the InChIKey of (1R)-3-[2-[(1R)-1-amino-2,2-dimethylpropyl]-1,3-thiazol-4-yl]-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is WFYCVLNQCQQWQT-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-11-8-14(23-12(11)2)15(20)19(6,7)9-13-10-24-17(22-13)16(21)18(3,4)5/h8,10,15-16H,9,20-21H2,1-7H3/t15-,16-/m0/s1.
What are the key properties of (1R)-3-[2-[(1R)-1-amino-2,2-dimethylpropyl]-1,3-thiazol-4-yl]-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropan-1-amine?
(1R)-3-[2-[(1R)-1-amino-2,2-dimethylpropyl]-1,3-thiazol-4-yl]-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 349.54 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[2-[(1R)-1-amino-2,2-dimethylpropyl]-1,3-thiazol-4-yl]-1-(4,5-dimethylfuran-2-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 142180510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).