4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-amine

C7H5ClN2S2 — CID 23030678

IUPAC4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc(Cl)cs2)cs1
InChIInChI=1S/C7H5ClN2S2/c8-4-1-6(11-2-4)5-3-12-7(9)10-5/h1-3H,(H2,9,10)
InChIKeySMBPGSKGPGBYBQ-UHFFFAOYSA-N
MW216.72 g/mol
LogP3.11
Rot. Bonds1

About 4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-amine

4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-amine (PubChem CID 23030678) has the molecular formula C7H5ClN2S2 and a molecular weight of 216.72 g/mol. Its IUPAC name is 4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-amine
PubChem CID23030678
Molecular FormulaC7H5ClN2S2
Molecular Weight216.72 g/mol
Exact Mass215.96
IUPAC Name4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc(Cl)cs2)cs1
InChIInChI=1S/C7H5ClN2S2/c8-4-1-6(11-2-4)5-3-12-7(9)10-5/h1-3H,(H2,9,10)
InChIKeySMBPGSKGPGBYBQ-UHFFFAOYSA-N
XLogP3.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.72
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-amine (CID 23030678) is 4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-amine is Nc1nc(-c2cc(Cl)cs2)cs1.
What is the InChIKey of 4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-amine?
The InChIKey is SMBPGSKGPGBYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S2/c8-4-1-6(11-2-4)5-3-12-7(9)10-5/h1-3H,(H2,9,10).
What are the key properties of 4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-amine?
4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-amine has a molecular weight of 216.72 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorothiophen-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 23030678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).