4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

C12H15N5OS2 — CID 116668483

IUPAC4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2sc(NC3CCC3)nc2N)s1
InChIInChI=1S/C12H15N5OS2/c1-6-5-14-11(19-6)17-10(18)8-9(13)16-12(20-8)15-7-3-2-4-7/h5,7H,2-4,13H2,1H3,(H,15,16)(H,14,17,18)
InChIKeyKQJFMERUGIOSEW-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.71
Rot. Bonds4

About 4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116668483) has the molecular formula C12H15N5OS2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID116668483
Molecular FormulaC12H15N5OS2
Molecular Weight309.42 g/mol
Exact Mass309.07
IUPAC Name4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2sc(NC3CCC3)nc2N)s1
InChIInChI=1S/C12H15N5OS2/c1-6-5-14-11(19-6)17-10(18)8-9(13)16-12(20-8)15-7-3-2-4-7/h5,7H,2-4,13H2,1H3,(H,15,16)(H,14,17,18)
InChIKeyKQJFMERUGIOSEW-UHFFFAOYSA-N
XLogP2.71
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-amino-2-(cyclopropylamino)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116672585
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclobutylamino)-N-(2-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116669276
4-amino-2-(cyclobutylamino)-N-[1-(hydroxymethyl)cyclobutyl]-1,3-thiazole-5-carboxamide
CID 116673864
4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106332505
4-amino-2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116671107
ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
CID 116674025
4-amino-N-(3-bromo-5-methylphenyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 107581248
4-amino-2-(cyclopropylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668929
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
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 116668483) is 4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is Cc1cnc(NC(=O)c2sc(NC3CCC3)nc2N)s1.
What is the InChIKey of 4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is KQJFMERUGIOSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS2/c1-6-5-14-11(19-6)17-10(18)8-9(13)16-12(20-8)15-7-3-2-4-7/h5,7H,2-4,13H2,1H3,(H,15,16)(H,14,17,18).
What are the key properties of 4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 309.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).