N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide

C12H17N5OS — CID 64558266

IUPACN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCCNC(C)c1csc(NC(=O)c2ccnn2C)n1
InChIInChI=1S/C12H17N5OS/c1-4-13-8(2)9-7-19-12(15-9)16-11(18)10-5-6-14-17(10)3/h5-8,13H,4H2,1-3H3,(H,15,16,18)
InChIKeyLGNYBMFKYNWDMZ-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.80
Rot. Bonds5

About N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide

N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 64558266) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
PubChem CID64558266
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
SMILESCCNC(C)c1csc(NC(=O)c2ccnn2C)n1
InChIInChI=1S/C12H17N5OS/c1-4-13-8(2)9-7-19-12(15-9)16-11(18)10-5-6-14-17(10)3/h5-8,13H,4H2,1-3H3,(H,15,16,18)
InChIKeyLGNYBMFKYNWDMZ-UHFFFAOYSA-N
XLogP1.80
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 64557479
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 64558061
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64555493
2-chloro-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64555687
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 65151630
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-fluoro-4-hydroxybenzamide
CID 107675636
3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 79153399
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,5-difluorobenzamide
CID 64558466
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4-fluoro-2-hydroxybenzamide
CID 107014646
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
CID 64558469
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 64557469
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 104670033

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide (CID 64558266) is N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide is CCNC(C)c1csc(NC(=O)c2ccnn2C)n1.
What is the InChIKey of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
The InChIKey is LGNYBMFKYNWDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-4-13-8(2)9-7-19-12(15-9)16-11(18)10-5-6-14-17(10)3/h5-8,13H,4H2,1-3H3,(H,15,16,18).
What are the key properties of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide?
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 64558266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).