N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-6-methylthieno[2,3-b]pyrrole-5-carboxamide

C14H17N5OS — CID 166329220

IUPACN-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-6-methylthieno[2,3-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2n[nH]c(C(C)(C)C)n2)cc2ccsc21
InChIInChI=1S/C14H17N5OS/c1-14(2,3)12-16-13(18-17-12)15-10(20)9-7-8-5-6-21-11(8)19(9)4/h5-7H,1-4H3,(H2,15,16,17,18,20)
InChIKeyKAAUBGYTLIQVNN-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.91
Rot. Bonds2

About N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-6-methylthieno[2,3-b]pyrrole-5-carboxamide

N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-6-methylthieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 166329220) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-6-methylthieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-6-methylthieno[2,3-b]pyrrole-5-carboxamide
PubChem CID166329220
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-6-methylthieno[2,3-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2n[nH]c(C(C)(C)C)n2)cc2ccsc21
InChIInChI=1S/C14H17N5OS/c1-14(2,3)12-16-13(18-17-12)15-10(20)9-7-8-5-6-21-11(8)19(9)4/h5-7H,1-4H3,(H2,15,16,17,18,20)
InChIKeyKAAUBGYTLIQVNN-UHFFFAOYSA-N
XLogP2.91
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-methylthieno[2,3-b]pyrrole-5-carboxylate
CID 118913719
6-methyl-N-[2-[[4-(pyrrolidin-3-ylmethoxy)phenoxy]methyl]phenyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 118918194
6-methyl-N-[2-[(3-piperidin-4-yloxyphenoxy)methyl]phenyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 118918119
2,5-dichloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide
CID 36579905
1,5-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 60518966
tert-butyl N-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]-1-benzothiophen-5-yl]carbamate
CID 167763095
1-methyl-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenylpyrazole-5-carboxamide
CID 71703539
1-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)imidazole-4-carboxamide
CID 103859707
1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 78927998
6-methylthieno[2,3-b]pyrrole-5-carbaldehyde
CID 96633320
3-(dimethylsulfamoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2381572
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 49382725

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-6-methylthieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-6-methylthieno[2,3-b]pyrrole-5-carboxamide (CID 166329220) is N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-6-methylthieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-6-methylthieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-6-methylthieno[2,3-b]pyrrole-5-carboxamide is Cn1c(C(=O)Nc2n[nH]c(C(C)(C)C)n2)cc2ccsc21.
What is the InChIKey of N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-6-methylthieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is KAAUBGYTLIQVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-14(2,3)12-16-13(18-17-12)15-10(20)9-7-8-5-6-21-11(8)19(9)4/h5-7H,1-4H3,(H2,15,16,17,18,20).
What are the key properties of N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-6-methylthieno[2,3-b]pyrrole-5-carboxamide?
N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-6-methylthieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-6-methylthieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 166329220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).