2-amino-5-cyclopropyl-N-ethyl-1,3-thiazole-4-carboxamide

C9H13N3OS — CID 118009395

IUPAC2-amino-5-cyclopropyl-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1nc(N)sc1C1CC1
InChIInChI=1S/C9H13N3OS/c1-2-11-8(13)6-7(5-3-4-5)14-9(10)12-6/h5H,2-4H2,1H3,(H2,10,12)(H,11,13)
InChIKeyZVBTYGVDVYBEBT-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.35
Rot. Bonds3

About 2-amino-5-cyclopropyl-N-ethyl-1,3-thiazole-4-carboxamide

2-amino-5-cyclopropyl-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 118009395) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-cyclopropyl-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID118009395
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name2-amino-5-cyclopropyl-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1nc(N)sc1C1CC1
InChIInChI=1S/C9H13N3OS/c1-2-11-8(13)6-7(5-3-4-5)14-9(10)12-6/h5H,2-4H2,1H3,(H2,10,12)(H,11,13)
InChIKeyZVBTYGVDVYBEBT-UHFFFAOYSA-N
XLogP1.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-carbamothioyl-5-cyclopropyl-N-(6,6,6-trifluoro-5-iminohexyl)-1,3-thiazole-4-carboxamide
CID 126546910
[(2-Amino-5-propan-2-yl-1,3-thiazole-4-carbonyl)amino]methylphosphonic acid
CID 22280385
(2-Amino-5-isopropyl-thiazol-4-yl)-pyrrolidin-1-yl-methanone
CID 86634303
2-amino-N-[2-(dimethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboxamide
CID 90054495
2-Amino-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 90105349
N-(10-amino-10-oxodecyl)-2-carbamothioyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 123464948
2-Amino-7-cyclopropyl-5-ethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 124152769
2-Amino-5,7-diethyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 124153327
2-(Dimethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 132191035
2-amino-5-ethyl-N-[2-(oxo-lambda5-phosphanylidyne)ethyl]-1,3-thiazole-4-carboxamide
CID 141021945
2-amino-N-[2-(oxo-lambda5-phosphanylidyne)ethyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 141022008
2-(ethenylcarbamothioyl)-N,N-dimethyl-5-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 143290606

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopropyl-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-5-cyclopropyl-N-ethyl-1,3-thiazole-4-carboxamide (CID 118009395) is 2-amino-5-cyclopropyl-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-5-cyclopropyl-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-5-cyclopropyl-N-ethyl-1,3-thiazole-4-carboxamide is CCNC(=O)c1nc(N)sc1C1CC1.
What is the InChIKey of 2-amino-5-cyclopropyl-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZVBTYGVDVYBEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-2-11-8(13)6-7(5-3-4-5)14-9(10)12-6/h5H,2-4H2,1H3,(H2,10,12)(H,11,13).
What are the key properties of 2-amino-5-cyclopropyl-N-ethyl-1,3-thiazole-4-carboxamide?
2-amino-5-cyclopropyl-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopropyl-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118009395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).