2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid

C10H15N3O3S — CID 145463138

IUPAC2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid
SMILESCC(C)c1nc(CNC(=O)NCC(=O)O)cs1
InChIInChI=1S/C10H15N3O3S/c1-6(2)9-13-7(5-17-9)3-11-10(16)12-4-8(14)15/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,11,12,16)
InChIKeyONGRSEIPOQUDOO-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.15
Rot. Bonds5

About 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid

2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid (PubChem CID 145463138) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid
PubChem CID145463138
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid
SMILESCC(C)c1nc(CNC(=O)NCC(=O)O)cs1
InChIInChI=1S/C10H15N3O3S/c1-6(2)9-13-7(5-17-9)3-11-10(16)12-4-8(14)15/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,11,12,16)
InChIKeyONGRSEIPOQUDOO-UHFFFAOYSA-N
XLogP1.15
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
1-(4-hydroxy-2-methylbutyl)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 111506024
butanedioic acid;bis(N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine)
CID 11612288
2-aminoacetic acid;N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
CID 11637350
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
2-aminobutanedioic acid;N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
CID 11673884
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 110728045
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]nonanamide
CID 56558069

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid?
The IUPAC name of 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid (CID 145463138) is 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid is CC(C)c1nc(CNC(=O)NCC(=O)O)cs1.
What is the InChIKey of 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid?
The InChIKey is ONGRSEIPOQUDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-6(2)9-13-7(5-17-9)3-11-10(16)12-4-8(14)15/h5-6H,3-4H2,1-2H3,(H,14,15)(H2,11,12,16).
What are the key properties of 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid?
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid has a molecular weight of 257.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid is sourced from PubChem (CID 145463138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).