3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C13H24N4OS — CID 103381391

IUPAC3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCCCCN(CC)c1snc(N)c1C(=O)NC(C)C
InChIInChI=1S/C13H24N4OS/c1-5-7-8-17(6-2)13-10(11(14)16-19-13)12(18)15-9(3)4/h9H,5-8H2,1-4H3,(H2,14,16)(H,15,18)
InChIKeyJRBLTRKLGAODGU-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.49
Rot. Bonds7

About 3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 103381391) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID103381391
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCCCCN(CC)c1snc(N)c1C(=O)NC(C)C
InChIInChI=1S/C13H24N4OS/c1-5-7-8-17(6-2)13-10(11(14)16-19-13)12(18)15-9(3)4/h9H,5-8H2,1-4H3,(H2,14,16)(H,15,18)
InChIKeyJRBLTRKLGAODGU-UHFFFAOYSA-N
XLogP2.49
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(diethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381087
3-amino-5-[ethyl(2-methoxyethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380467
3-amino-5-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380447
3-amino-5-[methyl(propyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381563
3-amino-5-[(2-amino-2-oxoethyl)-butylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380305
3-amino-5-[methyl(2-methylbutan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103382005
3-amino-N-cyclopropyl-5-[ethyl(3-hydroxypropyl)amino]-1,2-thiazole-4-carboxamide
CID 103384359
3-amino-5-[cyclopropyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381469
ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate
CID 103384853
3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380759
3-amino-5-[cyclopentylmethyl(methyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381902
3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379626

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 103381391) is 3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CCCCN(CC)c1snc(N)c1C(=O)NC(C)C.
What is the InChIKey of 3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is JRBLTRKLGAODGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-5-7-8-17(6-2)13-10(11(14)16-19-13)12(18)15-9(3)4/h9H,5-8H2,1-4H3,(H2,14,16)(H,15,18).
What are the key properties of 3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[butyl(ethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103381391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).