N-(furan-2-ylmethyl)-N-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide

C15H15N3O2S — CID 31154015

IUPACN-(furan-2-ylmethyl)-N-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESCc1nc(-c2c[nH]c(C(=O)N(C)Cc3ccco3)c2)cs1
InChIInChI=1S/C15H15N3O2S/c1-10-17-14(9-21-10)11-6-13(16-7-11)15(19)18(2)8-12-4-3-5-20-12/h3-7,9,16H,8H2,1-2H3
InChIKeyRWICAZHEICAVOF-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.31
Rot. Bonds4

About N-(furan-2-ylmethyl)-N-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide

N-(furan-2-ylmethyl)-N-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 31154015) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID31154015
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESCc1nc(-c2c[nH]c(C(=O)N(C)Cc3ccco3)c2)cs1
InChIInChI=1S/C15H15N3O2S/c1-10-17-14(9-21-10)11-6-13(16-7-11)15(19)18(2)8-12-4-3-5-20-12/h3-7,9,16H,8H2,1-2H3
InChIKeyRWICAZHEICAVOF-UHFFFAOYSA-N
XLogP3.31
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide (CID 31154015) is N-(furan-2-ylmethyl)-N-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide is Cc1nc(-c2c[nH]c(C(=O)N(C)Cc3ccco3)c2)cs1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is RWICAZHEICAVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-17-14(9-21-10)11-6-13(16-7-11)15(19)18(2)8-12-4-3-5-20-12/h3-7,9,16H,8H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide?
N-(furan-2-ylmethyl)-N-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 31154015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).