5-(2,2-dimethylpropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C13H21N3S2 — CID 107154131

IUPAC5-(2,2-dimethylpropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ncc(CNC2=NCC(CC(C)(C)C)S2)s1
InChIInChI=1S/C13H21N3S2/c1-9-14-7-11(17-9)8-16-12-15-6-10(18-12)5-13(2,3)4/h7,10H,5-6,8H2,1-4H3,(H,15,16)
InChIKeyDWYCRHFNGWHYBK-UHFFFAOYSA-N
MW283.47 g/mol
LogP3.45
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

5-(2,2-dimethylpropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154131) has the molecular formula C13H21N3S2 and a molecular weight of 283.47 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154131
Molecular FormulaC13H21N3S2
Molecular Weight283.47 g/mol
Exact Mass283.12
IUPAC Name5-(2,2-dimethylpropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ncc(CNC2=NCC(CC(C)(C)C)S2)s1
InChIInChI=1S/C13H21N3S2/c1-9-14-7-11(17-9)8-16-12-15-6-10(18-12)5-13(2,3)4/h7,10H,5-6,8H2,1-4H3,(H,15,16)
InChIKeyDWYCRHFNGWHYBK-UHFFFAOYSA-N
XLogP3.45
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 107154131) is 5-(2,2-dimethylpropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1ncc(CNC2=NCC(CC(C)(C)C)S2)s1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DWYCRHFNGWHYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S2/c1-9-14-7-11(17-9)8-16-12-15-6-10(18-12)5-13(2,3)4/h7,10H,5-6,8H2,1-4H3,(H,15,16).
What are the key properties of 5-(2,2-dimethylpropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 283.47 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).