4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

C10H18N4OS — CID 116667670

IUPAC4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCC(C)C)s1
InChIInChI=1S/C10H18N4OS/c1-4-12-10-14-8(11)7(16-10)9(15)13-5-6(2)3/h6H,4-5,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyOFEJVUNZFHCLBO-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.54
Rot. Bonds5

About 4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 116667670) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID116667670
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCC(C)C)s1
InChIInChI=1S/C10H18N4OS/c1-4-12-10-14-8(11)7(16-10)9(15)13-5-6(2)3/h6H,4-5,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyOFEJVUNZFHCLBO-UHFFFAOYSA-N
XLogP1.54
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(ethylamino)-N-(2-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 102702187
4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 116673637
4-amino-2-(ethylamino)-N-hexadecyl-1,3-thiazole-5-carboxamide
CID 171133620
4-amino-2-(propylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672287
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116664589
4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667150
4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664355
4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665947
4-amino-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665505
4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116664869
4-amino-2-(ethylamino)-N-[2-ethyl-2-(hydroxymethyl)butyl]-1,3-thiazole-5-carboxamide
CID 106258906
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116665523

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 116667670) is 4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NCC(C)C)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OFEJVUNZFHCLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-4-12-10-14-8(11)7(16-10)9(15)13-5-6(2)3/h6H,4-5,11H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of 4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 242.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116667670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).