1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine

C11H12Cl2N2S2 — CID 114082841

IUPAC1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C11H12Cl2N2S2/c1-5(2)9(14)11-15-7(4-16-11)6-3-8(12)17-10(6)13/h3-5,9H,14H2,1-2H3
InChIKeyIPJFUNGBCCXTCD-UHFFFAOYSA-N
MW307.27 g/mol
LogP4.83
Rot. Bonds3

About 1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine

1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine (PubChem CID 114082841) has the molecular formula C11H12Cl2N2S2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
PubChem CID114082841
Molecular FormulaC11H12Cl2N2S2
Molecular Weight307.27 g/mol
Exact Mass305.98
IUPAC Name1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nc(-c2cc(Cl)sc2Cl)cs1
InChIInChI=1S/C11H12Cl2N2S2/c1-5(2)9(14)11-15-7(4-16-11)6-3-8(12)17-10(6)13/h3-5,9H,14H2,1-2H3
InChIKeyIPJFUNGBCCXTCD-UHFFFAOYSA-N
XLogP4.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine (CID 114082841) is 1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine is CC(C)C(N)c1nc(-c2cc(Cl)sc2Cl)cs1.
What is the InChIKey of 1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
The InChIKey is IPJFUNGBCCXTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2S2/c1-5(2)9(14)11-15-7(4-16-11)6-3-8(12)17-10(6)13/h3-5,9H,14H2,1-2H3.
What are the key properties of 1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine?
1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine has a molecular weight of 307.27 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 114082841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).