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

C11H17N3O3S — CID 63628327

IUPAC4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCCCN(C)C(=O)NCc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C11H17N3O3S/c1-4-5-14(3)11(17)12-6-8-13-7(2)9(18-8)10(15)16/h4-6H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyYBSHBHADMINMOM-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.70
Rot. Bonds5

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

4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 63628327) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
PubChem CID63628327
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
SMILESCCCN(C)C(=O)NCc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C11H17N3O3S/c1-4-5-14(3)11(17)12-6-8-13-7(2)9(18-8)10(15)16/h4-6H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyYBSHBHADMINMOM-UHFFFAOYSA-N
XLogP1.70
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 742073
2-(Aminomethyl)-4-methyl-1,3-thiazole-5-carboxylic acid hydrochloride
CID 50988143
2-(3-Aminopropyl)-4-methyl-1,3-thiazole-5-carboxylic acid dihydrochloride
CID 50988314
2-(1-{[(Tert-butoxy)carbonyl]amino}ethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 138054098
4-methyl-2-[(1S)-1-(pent-4-enoylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 97858891
2-(Aminomethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 24274669
2-(2-Aminoethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 24274671
2-[(2-Methylpropanoylamino)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 117645117
4-(Difluoromethyl)-2-[(2-methylpropanoylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 117645237
2-[[(2-Methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 150075236
2-(2,2-Difluoroethylcarbamoyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 162759882
4-Methyl-2-[(2,2,2-trifluoroethoxycarbonylamino)methyl]-1,3-thiazole-5-carboxylic acid
CID 63628309

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid (CID 63628327) is 4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid is CCCN(C)C(=O)NCc1nc(C)c(C(=O)O)s1.
What is the InChIKey of 4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is YBSHBHADMINMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-4-5-14(3)11(17)12-6-8-13-7(2)9(18-8)10(15)16/h4-6H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 271.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63628327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).