N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

C19H20N4O2S — CID 11667792

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)N[C@H](CO)Cc3ccccc3)s2)n1
InChIInChI=1S/C19H20N4O2S/c1-20-19-21-10-9-15(23-19)16-7-8-17(26-16)18(25)22-14(12-24)11-13-5-3-2-4-6-13/h2-10,14,24H,11-12H2,1H3,(H,22,25)(H,20,21,23)/t14-/m0/s1
InChIKeyVEYQQHRZIFGUFW-AWEZNQCLSA-N
MW368.46 g/mol
LogP2.58
Rot. Bonds7

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide (PubChem CID 11667792) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
PubChem CID11667792
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
SMILESCNc1nccc(-c2ccc(C(=O)N[C@H](CO)Cc3ccccc3)s2)n1
InChIInChI=1S/C19H20N4O2S/c1-20-19-21-10-9-15(23-19)16-7-8-17(26-16)18(25)22-14(12-24)11-13-5-3-2-4-6-13/h2-10,14,24H,11-12H2,1H3,(H,22,25)(H,20,21,23)/t14-/m0/s1
InChIKeyVEYQQHRZIFGUFW-AWEZNQCLSA-N
XLogP2.58
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide (CID 11667792) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide is CNc1nccc(-c2ccc(C(=O)N[C@H](CO)Cc3ccccc3)s2)n1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
The InChIKey is VEYQQHRZIFGUFW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-20-19-21-10-9-15(23-19)16-7-8-17(26-16)18(25)22-14(12-24)11-13-5-3-2-4-6-13/h2-10,14,24H,11-12H2,1H3,(H,22,25)(H,20,21,23)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 11667792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).