N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide

C14H14N4O2S — CID 154749779

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESCc1cnc(CNC(=O)c2cc(-c3csc(C)n3)c[nH]2)o1
InChIInChI=1S/C14H14N4O2S/c1-8-4-16-13(20-8)6-17-14(19)11-3-10(5-15-11)12-7-21-9(2)18-12/h3-5,7,15H,6H2,1-2H3,(H,17,19)
InChIKeyIXWURYMWIKYTGL-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.67
Rot. Bonds4

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 154749779) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID154749779
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESCc1cnc(CNC(=O)c2cc(-c3csc(C)n3)c[nH]2)o1
InChIInChI=1S/C14H14N4O2S/c1-8-4-16-13(20-8)6-17-14(19)11-3-10(5-15-11)12-7-21-9(2)18-12/h3-5,7,15H,6H2,1-2H3,(H,17,19)
InChIKeyIXWURYMWIKYTGL-UHFFFAOYSA-N
XLogP2.67
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide (CID 154749779) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide is Cc1cnc(CNC(=O)c2cc(-c3csc(C)n3)c[nH]2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is IXWURYMWIKYTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-8-4-16-13(20-8)6-17-14(19)11-3-10(5-15-11)12-7-21-9(2)18-12/h3-5,7,15H,6H2,1-2H3,(H,17,19).
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 154749779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).