4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide

C15H26N4OS — CID 116663846

IUPAC4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCCCCC(C)NC(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C15H26N4OS/c1-3-4-5-6-7-10(2)17-14(20)12-13(16)19-15(21-12)18-11-8-9-11/h10-11H,3-9,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyVDIMELGKEMIFEB-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.39
Rot. Bonds9

About 4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide

4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 116663846) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID116663846
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCCCCC(C)NC(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C15H26N4OS/c1-3-4-5-6-7-10(2)17-14(20)12-13(16)19-15(21-12)18-11-8-9-11/h10-11H,3-9,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyVDIMELGKEMIFEB-UHFFFAOYSA-N
XLogP3.39
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.39
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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Related Compounds

4-amino-2-(cyclopropylamino)-N-[1-(dimethylamino)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 116671849
4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide
CID 116672019
4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667273
4-amino-2-[ethyl(methyl)amino]-N-heptan-2-yl-1,3-thiazole-5-carboxamide
CID 116663662
4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116666984
4-amino-2-(cyclobutylamino)-N-(4-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116673185
4-amino-2-(cyclopropylamino)-N-(2-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide
CID 116673098
4-amino-2-(cyclopropylamino)-N-(3-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116668842
4-amino-2-(cyclobutylamino)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide
CID 116663684
4-amino-2-(cyclopropylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116663853
4-amino-2-(cyclopropylamino)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116672585
4-amino-2-(cyclopropylamino)-N-(4-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide
CID 106015527

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide (CID 116663846) is 4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide is CCCCCCC(C)NC(=O)c1sc(NC2CC2)nc1N.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is VDIMELGKEMIFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-3-4-5-6-7-10(2)17-14(20)12-13(16)19-15(21-12)18-11-8-9-11/h10-11H,3-9,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 3.39, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).