2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide

C14H15Cl2N5O2S — CID 121137679

IUPAC2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide
SMILESCOc1nc(CNC(=O)c2cc(Cl)sc2Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H15Cl2N5O2S/c1-23-14-19-10(18-13(20-14)21-4-2-3-5-21)7-17-12(22)8-6-9(15)24-11(8)16/h6H,2-5,7H2,1H3,(H,17,22)
InChIKeyBOAGINBJTVVDBX-UHFFFAOYSA-N
MW388.28 g/mol
LogP2.78
Rot. Bonds5

About 2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide

2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide (PubChem CID 121137679) has the molecular formula C14H15Cl2N5O2S and a molecular weight of 388.28 g/mol. Its IUPAC name is 2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide
PubChem CID121137679
Molecular FormulaC14H15Cl2N5O2S
Molecular Weight388.28 g/mol
Exact Mass387.03
IUPAC Name2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide
SMILESCOc1nc(CNC(=O)c2cc(Cl)sc2Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H15Cl2N5O2S/c1-23-14-19-10(18-13(20-14)21-4-2-3-5-21)7-17-12(22)8-6-9(15)24-11(8)16/h6H,2-5,7H2,1H3,(H,17,22)
InChIKeyBOAGINBJTVVDBX-UHFFFAOYSA-N
XLogP2.78
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide (CID 121137679) is 2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide is COc1nc(CNC(=O)c2cc(Cl)sc2Cl)nc(N2CCCC2)n1.
What is the InChIKey of 2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide?
The InChIKey is BOAGINBJTVVDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5O2S/c1-23-14-19-10(18-13(20-14)21-4-2-3-5-21)7-17-12(22)8-6-9(15)24-11(8)16/h6H,2-5,7H2,1H3,(H,17,22).
What are the key properties of 2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide?
2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide has a molecular weight of 388.28 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 121137679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).