2-[2-methylpropyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid

C12H19N3O3S — CID 55171307

IUPAC2-[2-methylpropyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1ncsc1CNC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C12H19N3O3S/c1-8(2)5-15(6-11(16)17)12(18)13-4-10-9(3)14-7-19-10/h7-8H,4-6H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyXDCUFQLRRUSJEL-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.70
Rot. Bonds6

About 2-[2-methylpropyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid

2-[2-methylpropyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid (PubChem CID 55171307) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[2-methylpropyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid
PubChem CID55171307
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[2-methylpropyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid
SMILESCc1ncsc1CNC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C12H19N3O3S/c1-8(2)5-15(6-11(16)17)12(18)13-4-10-9(3)14-7-19-10/h7-8H,4-6H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyXDCUFQLRRUSJEL-UHFFFAOYSA-N
XLogP1.70
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264652
2-[(4-Methyl-1,3-thiazol-5-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266056
3,3,3-Trifluoro-2-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]propanoic acid
CID 79789120
3,3,3-Trifluoro-2-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]propanoic acid
CID 79801924
2,2,6,6-Tetramethyl-N-[(4-methyl-1,3-thiazol-5-YL)methyl]morpholine-4-carboxamide
CID 86805387
4-[(4-Methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 55170530
1-[(4-Methyl-1,3-thiazol-5-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 55170532
3,3-Dimethyl-2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 55170723
2-Methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]pentanoic acid
CID 55170724
3-[(4-Methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55170725
2-[Cyclopropylmethyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 55170916
2-Methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]propanoic acid
CID 55170917

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid (CID 55171307) is 2-[2-methylpropyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid is Cc1ncsc1CNC(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[2-methylpropyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid?
The InChIKey is XDCUFQLRRUSJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(2)5-15(6-11(16)17)12(18)13-4-10-9(3)14-7-19-10/h7-8H,4-6H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 2-[2-methylpropyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid?
2-[2-methylpropyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid has a molecular weight of 285.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 55171307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).