3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide

C10H15FN4OS — CID 114267278

IUPAC3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NCCCF)c1C(=O)NC1CC1
InChIInChI=1S/C10H15FN4OS/c11-4-1-5-13-10-7(8(12)15-17-10)9(16)14-6-2-3-6/h6,13H,1-5H2,(H2,12,15)(H,14,16)
InChIKeyWCCHHMUIKDWCIS-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.39
Rot. Bonds6

About 3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide

3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide (PubChem CID 114267278) has the molecular formula C10H15FN4OS and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide
PubChem CID114267278
Molecular FormulaC10H15FN4OS
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NCCCF)c1C(=O)NC1CC1
InChIInChI=1S/C10H15FN4OS/c11-4-1-5-13-10-7(8(12)15-17-10)9(16)14-6-2-3-6/h6,13H,1-5H2,(H2,12,15)(H,14,16)
InChIKeyWCCHHMUIKDWCIS-UHFFFAOYSA-N
XLogP1.39
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide (CID 114267278) is 3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide is Nc1nsc(NCCCF)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is WCCHHMUIKDWCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4OS/c11-4-1-5-13-10-7(8(12)15-17-10)9(16)14-6-2-3-6/h6,13H,1-5H2,(H2,12,15)(H,14,16).
What are the key properties of 3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 114267278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).