N-[2-[(2,5-dimethylpyrazol-3-yl)methylcarbamoylamino]ethyl]thiophene-2-carboxamide

C14H19N5O2S — CID 100640549

IUPACN-[2-[(2,5-dimethylpyrazol-3-yl)methylcarbamoylamino]ethyl]thiophene-2-carboxamide
SMILESCc1cc(CNC(=O)NCCNC(=O)c2cccs2)n(C)n1
InChIInChI=1S/C14H19N5O2S/c1-10-8-11(19(2)18-10)9-17-14(21)16-6-5-15-13(20)12-4-3-7-22-12/h3-4,7-8H,5-6,9H2,1-2H3,(H,15,20)(H2,16,17,21)
InChIKeyBVZGVIXYWMUJAR-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.02
Rot. Bonds6

About N-[2-[(2,5-dimethylpyrazol-3-yl)methylcarbamoylamino]ethyl]thiophene-2-carboxamide

N-[2-[(2,5-dimethylpyrazol-3-yl)methylcarbamoylamino]ethyl]thiophene-2-carboxamide (PubChem CID 100640549) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[2-[(2,5-dimethylpyrazol-3-yl)methylcarbamoylamino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,5-dimethylpyrazol-3-yl)methylcarbamoylamino]ethyl]thiophene-2-carboxamide
PubChem CID100640549
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-[2-[(2,5-dimethylpyrazol-3-yl)methylcarbamoylamino]ethyl]thiophene-2-carboxamide
SMILESCc1cc(CNC(=O)NCCNC(=O)c2cccs2)n(C)n1
InChIInChI=1S/C14H19N5O2S/c1-10-8-11(19(2)18-10)9-17-14(21)16-6-5-15-13(20)12-4-3-7-22-12/h3-4,7-8H,5-6,9H2,1-2H3,(H,15,20)(H2,16,17,21)
InChIKeyBVZGVIXYWMUJAR-UHFFFAOYSA-N
XLogP1.02
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dimethylpyrazol-3-yl)methylcarbamoylamino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2,5-dimethylpyrazol-3-yl)methylcarbamoylamino]ethyl]thiophene-2-carboxamide (CID 100640549) is N-[2-[(2,5-dimethylpyrazol-3-yl)methylcarbamoylamino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2,5-dimethylpyrazol-3-yl)methylcarbamoylamino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2,5-dimethylpyrazol-3-yl)methylcarbamoylamino]ethyl]thiophene-2-carboxamide is Cc1cc(CNC(=O)NCCNC(=O)c2cccs2)n(C)n1.
What is the InChIKey of N-[2-[(2,5-dimethylpyrazol-3-yl)methylcarbamoylamino]ethyl]thiophene-2-carboxamide?
The InChIKey is BVZGVIXYWMUJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-10-8-11(19(2)18-10)9-17-14(21)16-6-5-15-13(20)12-4-3-7-22-12/h3-4,7-8H,5-6,9H2,1-2H3,(H,15,20)(H2,16,17,21).
What are the key properties of N-[2-[(2,5-dimethylpyrazol-3-yl)methylcarbamoylamino]ethyl]thiophene-2-carboxamide?
N-[2-[(2,5-dimethylpyrazol-3-yl)methylcarbamoylamino]ethyl]thiophene-2-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dimethylpyrazol-3-yl)methylcarbamoylamino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 100640549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).