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

C9H12N4O3S — CID 171354610

IUPACN-[4-[(propanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCCC(=O)NNC(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C9H12N4O3S/c1-3-7(15)12-13-8(16)6-4-17-9(11-6)10-5(2)14/h4H,3H2,1-2H3,(H,12,15)(H,13,16)(H,10,11,14)
InChIKeyMAVGRVYVRGMSSL-UHFFFAOYSA-N
MW256.29 g/mol
LogP0.27
Rot. Bonds3

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

N-[4-[(propanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 171354610) has the molecular formula C9H12N4O3S and a molecular weight of 256.29 g/mol. Its IUPAC name is N-[4-[(propanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(propanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID171354610
Molecular FormulaC9H12N4O3S
Molecular Weight256.29 g/mol
Exact Mass256.06
IUPAC NameN-[4-[(propanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCCC(=O)NNC(=O)c1csc(NC(C)=O)n1
InChIInChI=1S/C9H12N4O3S/c1-3-7(15)12-13-8(16)6-4-17-9(11-6)10-5(2)14/h4H,3H2,1-2H3,(H,12,15)(H,13,16)(H,10,11,14)
InChIKeyMAVGRVYVRGMSSL-UHFFFAOYSA-N
XLogP0.27
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 50.27
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[(propanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[(propanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide (CID 171354610) is N-[4-[(propanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[(propanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[(propanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide is CCC(=O)NNC(=O)c1csc(NC(C)=O)n1.
What is the InChIKey of N-[4-[(propanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is MAVGRVYVRGMSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3S/c1-3-7(15)12-13-8(16)6-4-17-9(11-6)10-5(2)14/h4H,3H2,1-2H3,(H,12,15)(H,13,16)(H,10,11,14).
What are the key properties of N-[4-[(propanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[(propanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 256.29 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(propanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 171354610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).