4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide

C14H15IN4OS — CID 116669276

IUPAC4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CCC2)sc1C(=O)Nc1ccccc1I
InChIInChI=1S/C14H15IN4OS/c15-9-6-1-2-7-10(9)18-13(20)11-12(16)19-14(21-11)17-8-4-3-5-8/h1-2,6-8H,3-5,16H2,(H,17,19)(H,18,20)
InChIKeyTWTXPXFCFOMZKV-UHFFFAOYSA-N
MW414.27 g/mol
LogP3.55
Rot. Bonds4

About 4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide

4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 116669276) has the molecular formula C14H15IN4OS and a molecular weight of 414.27 g/mol. Its IUPAC name is 4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide
PubChem CID116669276
Molecular FormulaC14H15IN4OS
Molecular Weight414.27 g/mol
Exact Mass414.00
IUPAC Name4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(NC2CCC2)sc1C(=O)Nc1ccccc1I
InChIInChI=1S/C14H15IN4OS/c15-9-6-1-2-7-10(9)18-13(20)11-12(16)19-14(21-11)17-8-4-3-5-8/h1-2,6-8H,3-5,16H2,(H,17,19)(H,18,20)
InChIKeyTWTXPXFCFOMZKV-UHFFFAOYSA-N
XLogP3.55
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.27
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116668483
4-amino-N-(4-chlorophenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116668465
4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide
CID 116673864
4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668929
4-amino-2-(cyclobutylamino)-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116669160
4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106332505
4-amino-2-(cyclobutylamino)-N-[2-(ethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670260
4-amino-2-(cyclobutylamino)-N-[(2-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116673037
4-amino-N-(2-bicyclo[2.2.1]heptanyl)-2-(cyclobutylamino)-1,3-thiazole-5-carboxamide
CID 116666925
ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
CID 116674025
4-amino-2-(cyclopropylamino)-N-(3-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116673291

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide (CID 116669276) is 4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide is Nc1nc(NC2CCC2)sc1C(=O)Nc1ccccc1I.
What is the InChIKey of 4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is TWTXPXFCFOMZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN4OS/c15-9-6-1-2-7-10(9)18-13(20)11-12(16)19-14(21-11)17-8-4-3-5-8/h1-2,6-8H,3-5,16H2,(H,17,19)(H,18,20).
What are the key properties of 4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 414.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).