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

C15H26N4OS — CID 116667273

IUPAC4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(C)CC(C)NC(=O)c1sc(NC2CCC2)nc1N
InChIInChI=1S/C15H26N4OS/c1-4-9(2)8-10(3)17-14(20)12-13(16)19-15(21-12)18-11-6-5-7-11/h9-11H,4-8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyVYPIYSBFPPLSHH-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.24
Rot. Bonds7

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

4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116667273) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID116667273
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCC(C)CC(C)NC(=O)c1sc(NC2CCC2)nc1N
InChIInChI=1S/C15H26N4OS/c1-4-9(2)8-10(3)17-14(20)12-13(16)19-15(21-12)18-11-6-5-7-11/h9-11H,4-8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyVYPIYSBFPPLSHH-UHFFFAOYSA-N
XLogP3.24
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116673185
4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide
CID 116663846
4-amino-2-(cyclopropylamino)-N-[1-(dimethylamino)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 116671849
4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide
CID 116663684
4-amino-2-(cyclobutylamino)-N-(2-cyclopropylpropyl)-1,3-thiazole-5-carboxamide
CID 116672854
4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106332505
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclobutylamino)-N-[(2-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116673037
4-amino-2-(cyclobutylamino)-N-[2-(ethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670260
ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
CID 116674025
4-amino-2-(dimethylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667275
4-amino-2-(cyclobutylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665514

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide (CID 116667273) is 4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide is CCC(C)CC(C)NC(=O)c1sc(NC2CCC2)nc1N.
What is the InChIKey of 4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is VYPIYSBFPPLSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-9(2)8-10(3)17-14(20)12-13(16)19-15(21-12)18-11-6-5-7-11/h9-11H,4-8,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 3.24, 7 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-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116667273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).