(2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid

C8H11N3O4S — CID 107838128

IUPAC(2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
SMILESCc1cnc(NC(=O)NC[C@H](O)C(=O)O)s1
InChIInChI=1S/C8H11N3O4S/c1-4-2-10-8(16-4)11-7(15)9-3-5(12)6(13)14/h2,5,12H,3H2,1H3,(H,13,14)(H2,9,10,11,15)/t5-/m0/s1
InChIKeyYOCPGHMEMPVFDC-YFKPBYRVSA-N
MW245.26 g/mol
LogP0.02
Rot. Bonds4

About (2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid

(2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid (PubChem CID 107838128) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
PubChem CID107838128
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name(2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
SMILESCc1cnc(NC(=O)NC[C@H](O)C(=O)O)s1
InChIInChI=1S/C8H11N3O4S/c1-4-2-10-8(16-4)11-7(15)9-3-5(12)6(13)14/h2,5,12H,3H2,1H3,(H,13,14)(H2,9,10,11,15)/t5-/m0/s1
InChIKeyYOCPGHMEMPVFDC-YFKPBYRVSA-N
XLogP0.02
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 124607917
1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 71931128
1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 59293942
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 109379520
N-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide
CID 47196954
3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 61191664
ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate
CID 43384951
(2S)-2-hydroxy-3-[(6-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107840624
2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107586007
3-methoxy-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 81085421
1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 47196994
1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 127018306

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid (CID 107838128) is (2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid is Cc1cnc(NC(=O)NC[C@H](O)C(=O)O)s1.
What is the InChIKey of (2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid?
The InChIKey is YOCPGHMEMPVFDC-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11N3O4S/c1-4-2-10-8(16-4)11-7(15)9-3-5(12)6(13)14/h2,5,12H,3H2,1H3,(H,13,14)(H2,9,10,11,15)/t5-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid?
(2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid has a molecular weight of 245.26 g/mol, XLogP of 0.02, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 107838128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).