1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine

C10H11ClN2S2 — CID 61339170

IUPAC1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C10H11ClN2S2/c1-2-6(12)10-13-7(5-14-10)8-3-4-9(11)15-8/h3-6H,2,12H2,1H3
InChIKeyFUBSFCYGZREMRX-UHFFFAOYSA-N
MW258.80 g/mol
LogP3.93
Rot. Bonds3

About 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine

1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 61339170) has the molecular formula C10H11ClN2S2 and a molecular weight of 258.80 g/mol. Its IUPAC name is 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID61339170
Molecular FormulaC10H11ClN2S2
Molecular Weight258.80 g/mol
Exact Mass258.01
IUPAC Name1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C10H11ClN2S2/c1-2-6(12)10-13-7(5-14-10)8-3-4-9(11)15-8/h3-6H,2,12H2,1H3
InChIKeyFUBSFCYGZREMRX-UHFFFAOYSA-N
XLogP3.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.80
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine (CID 61339170) is 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine is CCC(N)c1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is FUBSFCYGZREMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S2/c1-2-6(12)10-13-7(5-14-10)8-3-4-9(11)15-8/h3-6H,2,12H2,1H3.
What are the key properties of 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 258.80 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 61339170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).