3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide

C13H24N4OS — CID 103384495

IUPAC3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCCC(CC)CNc1snc(N)c1C(=O)NC(C)C
InChIInChI=1S/C13H24N4OS/c1-5-9(6-2)7-15-13-10(11(14)17-19-13)12(18)16-8(3)4/h8-9,15H,5-7H2,1-4H3,(H2,14,17)(H,16,18)
InChIKeyQENDIDGXVMBTKG-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.71
Rot. Bonds7

About 3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103384495) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103384495
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCCC(CC)CNc1snc(N)c1C(=O)NC(C)C
InChIInChI=1S/C13H24N4OS/c1-5-9(6-2)7-15-13-10(11(14)17-19-13)12(18)16-8(3)4/h8-9,15H,5-7H2,1-4H3,(H2,14,17)(H,16,18)
InChIKeyQENDIDGXVMBTKG-UHFFFAOYSA-N
XLogP2.71
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383675
3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 106174673
3-amino-5-[(2-ethoxy-2-methylpropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384833
3-amino-5-(2-methylsulfonylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383143
3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 107324527
3-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383654
3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide
CID 106015602
3-amino-5-(2-cyclopentylethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383123
3-amino-5-(oxan-4-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380642
3-amino-5-(diethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381087
3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide
CID 103380049
3-amino-5-(5-methylhexan-2-ylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381225

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103384495) is 3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide is CCC(CC)CNc1snc(N)c1C(=O)NC(C)C.
What is the InChIKey of 3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is QENDIDGXVMBTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-5-9(6-2)7-15-13-10(11(14)17-19-13)12(18)16-8(3)4/h8-9,15H,5-7H2,1-4H3,(H2,14,17)(H,16,18).
What are the key properties of 3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103384495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).