2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide

C10H14BrN3OS — CID 67204816

IUPAC2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Br)sc1C(=O)NC1CCNCC1
InChIInChI=1S/C10H14BrN3OS/c1-6-8(16-10(11)13-6)9(15)14-7-2-4-12-5-3-7/h7,12H,2-5H2,1H3,(H,14,15)
InChIKeyKUNIBKCLLAWBFR-UHFFFAOYSA-N
MW304.21 g/mol
LogP1.70
Rot. Bonds2

About 2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide

2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 67204816) has the molecular formula C10H14BrN3OS and a molecular weight of 304.21 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID67204816
Molecular FormulaC10H14BrN3OS
Molecular Weight304.21 g/mol
Exact Mass303.00
IUPAC Name2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Br)sc1C(=O)NC1CCNCC1
InChIInChI=1S/C10H14BrN3OS/c1-6-8(16-10(11)13-6)9(15)14-7-2-4-12-5-3-7/h7,12H,2-5H2,1H3,(H,14,15)
InChIKeyKUNIBKCLLAWBFR-UHFFFAOYSA-N
XLogP1.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide (CID 67204816) is 2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide is Cc1nc(Br)sc1C(=O)NC1CCNCC1.
What is the InChIKey of 2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KUNIBKCLLAWBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3OS/c1-6-8(16-10(11)13-6)9(15)14-7-2-4-12-5-3-7/h7,12H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide?
2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 304.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 67204816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).