N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide

C18H19FN4OS — CID 24997125

IUPACN-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide
SMILESCn1nccc1-c1cc(C(=O)N[C@H](CN)Cc2ccccc2F)cs1
InChIInChI=1S/C18H19FN4OS/c1-23-16(6-7-21-23)17-9-13(11-25-17)18(24)22-14(10-20)8-12-4-2-3-5-15(12)19/h2-7,9,11,14H,8,10,20H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyNUKCLCPHVUTYKP-AWEZNQCLSA-N
MW358.44 g/mol
LogP2.59
Rot. Bonds6

About N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide

N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide (PubChem CID 24997125) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide
PubChem CID24997125
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC NameN-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide
SMILESCn1nccc1-c1cc(C(=O)N[C@H](CN)Cc2ccccc2F)cs1
InChIInChI=1S/C18H19FN4OS/c1-23-16(6-7-21-23)17-9-13(11-25-17)18(24)22-14(10-20)8-12-4-2-3-5-15(12)19/h2-7,9,11,14H,8,10,20H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyNUKCLCPHVUTYKP-AWEZNQCLSA-N
XLogP2.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide (CID 24997125) is N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide is Cn1nccc1-c1cc(C(=O)N[C@H](CN)Cc2ccccc2F)cs1.
What is the InChIKey of N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide?
The InChIKey is NUKCLCPHVUTYKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-23-16(6-7-21-23)17-9-13(11-25-17)18(24)22-14(10-20)8-12-4-2-3-5-15(12)19/h2-7,9,11,14H,8,10,20H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide?
N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide is sourced from PubChem (CID 24997125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).