4-(5-chlorothiophen-2-yl)-N-methyl-1,3-thiazol-2-amine

C8H7ClN2S2 — CID 2809409

IUPAC4-(5-chlorothiophen-2-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C8H7ClN2S2/c1-10-8-11-5(4-12-8)6-2-3-7(9)13-6/h2-4H,1H3,(H,10,11)
InChIKeyBRCFEYHPEDRVIM-UHFFFAOYSA-N
MW230.75 g/mol
LogP3.57
Rot. Bonds2

About 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-thiazol-2-amine

4-(5-chlorothiophen-2-yl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 2809409) has the molecular formula C8H7ClN2S2 and a molecular weight of 230.75 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-methyl-1,3-thiazol-2-amine
PubChem CID2809409
Molecular FormulaC8H7ClN2S2
Molecular Weight230.75 g/mol
Exact Mass229.97
IUPAC Name4-(5-chlorothiophen-2-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C8H7ClN2S2/c1-10-8-11-5(4-12-8)6-2-3-7(9)13-6/h2-4H,1H3,(H,10,11)
InChIKeyBRCFEYHPEDRVIM-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-thiazol-2-amine (CID 2809409) is 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is BRCFEYHPEDRVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S2/c1-10-8-11-5(4-12-8)6-2-3-7(9)13-6/h2-4H,1H3,(H,10,11).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-thiazol-2-amine?
4-(5-chlorothiophen-2-yl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 230.75 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2809409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).