5-(carbamoylamino)-3-pentyl-1,2-thiazole-4-carboxamide

C10H16N4O2S — CID 134119367

IUPAC5-(carbamoylamino)-3-pentyl-1,2-thiazole-4-carboxamide
SMILESCCCCCc1nsc(NC(N)=O)c1C(N)=O
InChIInChI=1S/C10H16N4O2S/c1-2-3-4-5-6-7(8(11)15)9(17-14-6)13-10(12)16/h2-5H2,1H3,(H2,11,15)(H3,12,13,16)
InChIKeyLEFNHGCEXMHGMZ-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.47
Rot. Bonds6

About 5-(carbamoylamino)-3-pentyl-1,2-thiazole-4-carboxamide

5-(carbamoylamino)-3-pentyl-1,2-thiazole-4-carboxamide (PubChem CID 134119367) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-(carbamoylamino)-3-pentyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(carbamoylamino)-3-pentyl-1,2-thiazole-4-carboxamide
PubChem CID134119367
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name5-(carbamoylamino)-3-pentyl-1,2-thiazole-4-carboxamide
SMILESCCCCCc1nsc(NC(N)=O)c1C(N)=O
InChIInChI=1S/C10H16N4O2S/c1-2-3-4-5-6-7(8(11)15)9(17-14-6)13-10(12)16/h2-5H2,1H3,(H2,11,15)(H3,12,13,16)
InChIKeyLEFNHGCEXMHGMZ-UHFFFAOYSA-N
XLogP1.47
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-3-pentyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(carbamoylamino)-3-pentyl-1,2-thiazole-4-carboxamide (CID 134119367) is 5-(carbamoylamino)-3-pentyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(carbamoylamino)-3-pentyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(carbamoylamino)-3-pentyl-1,2-thiazole-4-carboxamide is CCCCCc1nsc(NC(N)=O)c1C(N)=O.
What is the InChIKey of 5-(carbamoylamino)-3-pentyl-1,2-thiazole-4-carboxamide?
The InChIKey is LEFNHGCEXMHGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-2-3-4-5-6-7(8(11)15)9(17-14-6)13-10(12)16/h2-5H2,1H3,(H2,11,15)(H3,12,13,16).
What are the key properties of 5-(carbamoylamino)-3-pentyl-1,2-thiazole-4-carboxamide?
5-(carbamoylamino)-3-pentyl-1,2-thiazole-4-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-3-pentyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 134119367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).