N-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C16H22N2O2S — CID 107154881

IUPACN-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(Nc2ccc(C3OCCO3)cc2)S1
InChIInChI=1S/C16H22N2O2S/c1-11(2)9-14-10-17-16(21-14)18-13-5-3-12(4-6-13)15-19-7-8-20-15/h3-6,11,14-15H,7-10H2,1-2H3,(H,17,18)
InChIKeyYATDGCCLKLQBJC-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.66
Rot. Bonds4

About N-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154881) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154881
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CN=C(Nc2ccc(C3OCCO3)cc2)S1
InChIInChI=1S/C16H22N2O2S/c1-11(2)9-14-10-17-16(21-14)18-13-5-3-12(4-6-13)15-19-7-8-20-15/h3-6,11,14-15H,7-10H2,1-2H3,(H,17,18)
InChIKeyYATDGCCLKLQBJC-UHFFFAOYSA-N
XLogP3.66
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154881) is N-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CN=C(Nc2ccc(C3OCCO3)cc2)S1.
What is the InChIKey of N-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YATDGCCLKLQBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(2)9-14-10-17-16(21-14)18-13-5-3-12(4-6-13)15-19-7-8-20-15/h3-6,11,14-15H,7-10H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 306.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).