2-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-4-carboxamide

C11H14N4O2S — CID 66389777

IUPAC2-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCc1noc(NC(=O)c2csc(C(C)N)n2)c1C
InChIInChI=1S/C11H14N4O2S/c1-5-7(3)15-17-10(5)14-9(16)8-4-18-11(13-8)6(2)12/h4,6H,12H2,1-3H3,(H,14,16)
InChIKeyWRWDQGZVRJLZDQ-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.02
Rot. Bonds3

About 2-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 66389777) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID66389777
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCc1noc(NC(=O)c2csc(C(C)N)n2)c1C
InChIInChI=1S/C11H14N4O2S/c1-5-7(3)15-17-10(5)14-9(16)8-4-18-11(13-8)6(2)12/h4,6H,12H2,1-3H3,(H,14,16)
InChIKeyWRWDQGZVRJLZDQ-UHFFFAOYSA-N
XLogP2.02
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66374004
2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66372661
2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66390934
2-(1-aminoethyl)-N-(4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 66374568
2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 66389507
5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide
CID 107375965
2-(1-aminoethyl)-N-(2,4,6-tribromophenyl)-1,3-thiazole-4-carboxamide
CID 66374781
N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-hydrazinylpyridine-2-carboxamide
CID 65480786
2-(1-aminoethyl)-N-(3-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66388011
2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66374394
2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66373820

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-4-carboxamide (CID 66389777) is 2-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-4-carboxamide is Cc1noc(NC(=O)c2csc(C(C)N)n2)c1C.
What is the InChIKey of 2-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is WRWDQGZVRJLZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-5-7(3)15-17-10(5)14-9(16)8-4-18-11(13-8)6(2)12/h4,6H,12H2,1-3H3,(H,14,16).
What are the key properties of 2-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66389777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).