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

C14H21N3O3S — CID 63628337

IUPAC2-[[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)N(CC2CC2)C(C)C)sc1C(=O)O
InChIInChI=1S/C14H21N3O3S/c1-8(2)17(7-10-4-5-10)14(20)15-6-11-16-9(3)12(21-11)13(18)19/h8,10H,4-7H2,1-3H3,(H,15,20)(H,18,19)
InChIKeySWDYHSFJXCTXHW-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.48
Rot. Bonds6

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

2-[[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 63628337) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID63628337
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CNC(=O)N(CC2CC2)C(C)C)sc1C(=O)O
InChIInChI=1S/C14H21N3O3S/c1-8(2)17(7-10-4-5-10)14(20)15-6-11-16-9(3)12(21-11)13(18)19/h8,10H,4-7H2,1-3H3,(H,15,20)(H,18,19)
InChIKeySWDYHSFJXCTXHW-UHFFFAOYSA-N
XLogP2.48
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

2-[[[cyclobutylmethyl(methyl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628686
4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63630361
2-[(cyclopropylmethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64987972
2-[(cyclooctanecarbonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 65019067
4-methyl-2-[[[methyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63628327
4-methyl-2-[[(3-methylpyrrolidine-1-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63629705
2-[(ethylcarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63628145
4-methyl-2-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63629028
4-methyl-2-[[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 115986607
4-methyl-2-[[(3-methylpiperidine-1-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63630024
2-[(dimethylaminocarbamoylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83019638
2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 63629010

Frequently Asked Questions

What is the IUPAC name of 2-[[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 63628337) is 2-[[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(CNC(=O)N(CC2CC2)C(C)C)sc1C(=O)O.
What is the InChIKey of 2-[[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is SWDYHSFJXCTXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-8(2)17(7-10-4-5-10)14(20)15-6-11-16-9(3)12(21-11)13(18)19/h8,10H,4-7H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63628337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).