4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid

C13H20N4O3S — CID 63630361

IUPAC4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)N(C)C2CCNCC2)sc1C(=O)O
InChIInChI=1S/C13H20N4O3S/c1-8-11(12(18)19)21-10(16-8)7-15-13(20)17(2)9-3-5-14-6-4-9/h9,14H,3-7H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyFYRHJTOBZHUHJD-UHFFFAOYSA-N
MW312.40 g/mol
LogP1.04
Rot. Bonds4

About 4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 63630361) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID63630361
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)N(C)C2CCNCC2)sc1C(=O)O
InChIInChI=1S/C13H20N4O3S/c1-8-11(12(18)19)21-10(16-8)7-15-13(20)17(2)9-3-5-14-6-4-9/h9,14H,3-7H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyFYRHJTOBZHUHJD-UHFFFAOYSA-N
XLogP1.04
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid (CID 63630361) is 4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(CNC(=O)N(C)C2CCNCC2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is FYRHJTOBZHUHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-8-11(12(18)19)21-10(16-8)7-15-13(20)17(2)9-3-5-14-6-4-9/h9,14H,3-7H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 312.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63630361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).