N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide

C14H19N3OS — CID 90651513

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1csc(C(C)NC(=O)c2cccn2C(C)C)n1
InChIInChI=1S/C14H19N3OS/c1-9(2)17-7-5-6-12(17)13(18)16-11(4)14-15-10(3)8-19-14/h5-9,11H,1-4H3,(H,16,18)
InChIKeyJHRYLQGTGLRVTK-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.32
Rot. Bonds4

About N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 90651513) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID90651513
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCc1csc(C(C)NC(=O)c2cccn2C(C)C)n1
InChIInChI=1S/C14H19N3OS/c1-9(2)17-7-5-6-12(17)13(18)16-11(4)14-15-10(3)8-19-14/h5-9,11H,1-4H3,(H,16,18)
InChIKeyJHRYLQGTGLRVTK-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
3,4-dihydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103956894
4-fluoro-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702418
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-6-carboxamide
CID 63022253
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
2-methyl-3-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875883
3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 115646115
4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103642131
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
3-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 105388401
1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide
CID 45179322

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 90651513) is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide is Cc1csc(C(C)NC(=O)c2cccn2C(C)C)n1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is JHRYLQGTGLRVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9(2)17-7-5-6-12(17)13(18)16-11(4)14-15-10(3)8-19-14/h5-9,11H,1-4H3,(H,16,18).
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 90651513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).