4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine

C9H14BrN3S — CID 79399978

IUPAC4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESCN1CCC(Nc2nc(Br)cs2)CC1
InChIInChI=1S/C9H14BrN3S/c1-13-4-2-7(3-5-13)11-9-12-8(10)6-14-9/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyKYCAVXFGPKJWBD-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.41
Rot. Bonds2

About 4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine

4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 79399978) has the molecular formula C9H14BrN3S and a molecular weight of 276.20 g/mol. Its IUPAC name is 4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
PubChem CID79399978
Molecular FormulaC9H14BrN3S
Molecular Weight276.20 g/mol
Exact Mass275.01
IUPAC Name4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESCN1CCC(Nc2nc(Br)cs2)CC1
InChIInChI=1S/C9H14BrN3S/c1-13-4-2-7(3-5-13)11-9-12-8(10)6-14-9/h6-7H,2-5H2,1H3,(H,11,12)
InChIKeyKYCAVXFGPKJWBD-UHFFFAOYSA-N
XLogP2.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine (CID 79399978) is 4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine is CN1CCC(Nc2nc(Br)cs2)CC1.
What is the InChIKey of 4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is KYCAVXFGPKJWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3S/c1-13-4-2-7(3-5-13)11-9-12-8(10)6-14-9/h6-7H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine?
4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 276.20 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79399978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).