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

C13H22N4OS — CID 116666984

IUPAC4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)C(C)CNC(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C13H22N4OS/c1-7(2)8(3)6-15-12(18)10-11(14)17-13(19-10)16-9-4-5-9/h7-9H,4-6,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyYKOIGRXMFUQXPU-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.32
Rot. Bonds6

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

4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide (PubChem CID 116666984) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
PubChem CID116666984
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)C(C)CNC(=O)c1sc(NC2CC2)nc1N
InChIInChI=1S/C13H22N4OS/c1-7(2)8(3)6-15-12(18)10-11(14)17-13(19-10)16-9-4-5-9/h7-9H,4-6,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyYKOIGRXMFUQXPU-UHFFFAOYSA-N
XLogP2.32
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(cyclopropylamino)-N-(2-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide
CID 116673098
4-amino-2-(cyclobutylamino)-N-(2-cyclopropylpropyl)-1,3-thiazole-5-carboxamide
CID 116672854
4-amino-2-(cyclopropylamino)-N-(2-hydroxy-3-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 116666800
4-amino-N-[2-(carbamoylamino)ethyl]-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 116672311
4-amino-2-(cyclopropylamino)-N-octyl-1,3-thiazole-5-carboxamide
CID 116672019
4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 114102698
4-amino-2-(cyclopropylamino)-N-(4-propan-2-yloxybutyl)-1,3-thiazole-5-carboxamide
CID 106015527
4-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(cyclopropylamino)-1,3-thiazole-5-carboxamide
CID 106280952
4-amino-2-(cyclopropylamino)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116672296
4-amino-2-(cyclopropylamino)-N-(5-hydroxypentyl)-1,3-thiazole-5-carboxamide
CID 107324438
4-amino-2-(cyclopropylamino)-N-[1-(dimethylamino)propan-2-yl]-1,3-thiazole-5-carboxamide
CID 116671849
4-amino-2-(cyclopropylamino)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-5-carboxamide
CID 116666359

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide (CID 116666984) is 4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide is CC(C)C(C)CNC(=O)c1sc(NC2CC2)nc1N.
What is the InChIKey of 4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YKOIGRXMFUQXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-7(2)8(3)6-15-12(18)10-11(14)17-13(19-10)16-9-4-5-9/h7-9H,4-6,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclopropylamino)-N-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.32, 6 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-(2,3-dimethylbutyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).