N-[4-(acetamidocarbamoyl)-1,3-thiazol-2-yl]acetamide

C8H10N4O3S — CID 171342076

IUPACN-[4-(acetamidocarbamoyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NNC(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C8H10N4O3S/c1-4(13)9-8-10-6(3-16-8)7(15)12-11-5(2)14/h3H,1-2H3,(H,11,14)(H,12,15)(H,9,10,13)
InChIKeyRNTTXPNLYQTGMZ-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.12
Rot. Bonds2

About N-[4-(acetamidocarbamoyl)-1,3-thiazol-2-yl]acetamide

N-[4-(acetamidocarbamoyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 171342076) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is N-[4-(acetamidocarbamoyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(acetamidocarbamoyl)-1,3-thiazol-2-yl]acetamide
PubChem CID171342076
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC NameN-[4-(acetamidocarbamoyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NNC(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C8H10N4O3S/c1-4(13)9-8-10-6(3-16-8)7(15)12-11-5(2)14/h3H,1-2H3,(H,11,14)(H,12,15)(H,9,10,13)
InChIKeyRNTTXPNLYQTGMZ-UHFFFAOYSA-N
XLogP-0.12
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 468685
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CID 7196678
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CID 171342306
CID 171342306
CID 171348375
CID 171348375
CID 171354333
CID 171354333
CID 171354610
CID 171354610
CID 171355146
CID 171355146
CID 171356115
CID 171356115
CID 171357552
CID 171357552
CID 171358793
CID 171358793
CID 257200
CID 257200
CID 16915486
CID 16915486

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetamidocarbamoyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(acetamidocarbamoyl)-1,3-thiazol-2-yl]acetamide (CID 171342076) is N-[4-(acetamidocarbamoyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(acetamidocarbamoyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(acetamidocarbamoyl)-1,3-thiazol-2-yl]acetamide is CC(=O)NNC(=O)c1csc(NC(C)=O)n1.
What is the InChIKey of N-[4-(acetamidocarbamoyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RNTTXPNLYQTGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c1-4(13)9-8-10-6(3-16-8)7(15)12-11-5(2)14/h3H,1-2H3,(H,11,14)(H,12,15)(H,9,10,13).
What are the key properties of N-[4-(acetamidocarbamoyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(acetamidocarbamoyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 242.26 g/mol, XLogP of -0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetamidocarbamoyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 171342076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).