2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid

C13H21N3O3S — CID 66373894

IUPAC2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCN(CCC)C(=O)NCCc1nc(C(=O)O)cs1
InChIInChI=1S/C13H21N3O3S/c1-3-7-16(8-4-2)13(19)14-6-5-11-15-10(9-20-11)12(17)18/h9H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyWSTCBPNQBFKJKQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.22
Rot. Bonds8

About 2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66373894) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66373894
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCN(CCC)C(=O)NCCc1nc(C(=O)O)cs1
InChIInChI=1S/C13H21N3O3S/c1-3-7-16(8-4-2)13(19)14-6-5-11-15-10(9-20-11)12(17)18/h9H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyWSTCBPNQBFKJKQ-UHFFFAOYSA-N
XLogP2.22
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381131
2-[2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374539
2-[2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374854
2-[2-[2-(diethylamino)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373322
2-[2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372953
2-[2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 79845199
2-[2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373755
2-[2-(heptanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374838
2-[2-[[cyclopropylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373922
2-[(dipropylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 39159949
2-[[bis(2-methoxyethyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380743
2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374878

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 66373894) is 2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid is CCCN(CCC)C(=O)NCCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is WSTCBPNQBFKJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-7-16(8-4-2)13(19)14-6-5-11-15-10(9-20-11)12(17)18/h9H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 299.40 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dipropylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66373894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).