4-butan-2-yl-5-chloro-1,3-thiazol-2-amine

C7H11ClN2S — CID 142119110

IUPAC4-butan-2-yl-5-chloro-1,3-thiazol-2-amine
SMILESCCC(C)c1nc(N)sc1Cl
InChIInChI=1S/C7H11ClN2S/c1-3-4(2)5-6(8)11-7(9)10-5/h4H,3H2,1-2H3,(H2,9,10)
InChIKeyYELCCKDLHOEFEG-UHFFFAOYSA-N
MW190.70 g/mol
LogP2.89
Rot. Bonds2

About 4-butan-2-yl-5-chloro-1,3-thiazol-2-amine

4-butan-2-yl-5-chloro-1,3-thiazol-2-amine (PubChem CID 142119110) has the molecular formula C7H11ClN2S and a molecular weight of 190.70 g/mol. Its IUPAC name is 4-butan-2-yl-5-chloro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-butan-2-yl-5-chloro-1,3-thiazol-2-amine
PubChem CID142119110
Molecular FormulaC7H11ClN2S
Molecular Weight190.70 g/mol
Exact Mass190.03
IUPAC Name4-butan-2-yl-5-chloro-1,3-thiazol-2-amine
SMILESCCC(C)c1nc(N)sc1Cl
InChIInChI=1S/C7H11ClN2S/c1-3-4(2)5-6(8)11-7(9)10-5/h4H,3H2,1-2H3,(H2,9,10)
InChIKeyYELCCKDLHOEFEG-UHFFFAOYSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.70
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-5-chloro-1,3-thiazol-2-amine?
The IUPAC name of 4-butan-2-yl-5-chloro-1,3-thiazol-2-amine (CID 142119110) is 4-butan-2-yl-5-chloro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-butan-2-yl-5-chloro-1,3-thiazol-2-amine?
The canonical SMILES for 4-butan-2-yl-5-chloro-1,3-thiazol-2-amine is CCC(C)c1nc(N)sc1Cl.
What is the InChIKey of 4-butan-2-yl-5-chloro-1,3-thiazol-2-amine?
The InChIKey is YELCCKDLHOEFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2S/c1-3-4(2)5-6(8)11-7(9)10-5/h4H,3H2,1-2H3,(H2,9,10).
What are the key properties of 4-butan-2-yl-5-chloro-1,3-thiazol-2-amine?
4-butan-2-yl-5-chloro-1,3-thiazol-2-amine has a molecular weight of 190.70 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-5-chloro-1,3-thiazol-2-amine is sourced from PubChem (CID 142119110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).