N-(3-methylbutyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide

C14H19N3OS — CID 29134018

IUPACN-(3-methylbutyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCC(C)CCNC(=O)Cc1cnc(-n2cccc2)s1
InChIInChI=1S/C14H19N3OS/c1-11(2)5-6-15-13(18)9-12-10-16-14(19-12)17-7-3-4-8-17/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,15,18)
InChIKeyAZOJMIFAKZWIRX-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.64
Rot. Bonds6

About N-(3-methylbutyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide

N-(3-methylbutyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 29134018) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
PubChem CID29134018
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(3-methylbutyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCC(C)CCNC(=O)Cc1cnc(-n2cccc2)s1
InChIInChI=1S/C14H19N3OS/c1-11(2)5-6-15-13(18)9-12-10-16-14(19-12)17-7-3-4-8-17/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,15,18)
InChIKeyAZOJMIFAKZWIRX-UHFFFAOYSA-N
XLogP2.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide (CID 29134018) is N-(3-methylbutyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide is CC(C)CCNC(=O)Cc1cnc(-n2cccc2)s1.
What is the InChIKey of N-(3-methylbutyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is AZOJMIFAKZWIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11(2)5-6-15-13(18)9-12-10-16-14(19-12)17-7-3-4-8-17/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,15,18).
What are the key properties of N-(3-methylbutyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
N-(3-methylbutyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 277.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 29134018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).