N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-cyanophenyl)-1H-pyrrole-2-carboxamide

C18H17N5O2S — CID 168509938

IUPACN-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-cyanophenyl)-1H-pyrrole-2-carboxamide
SMILESN#Cc1ccc(-c2ccc(C(=O)N[C@H](CN)c3nc(CO)cs3)[nH]2)cc1
InChIInChI=1S/C18H17N5O2S/c19-7-11-1-3-12(4-2-11)14-5-6-15(22-14)17(25)23-16(8-20)18-21-13(9-24)10-26-18/h1-6,10,16,22,24H,8-9,20H2,(H,23,25)/t16-/m1/s1
InChIKeyVMKFFJDLKSXFGN-MRXNPFEDSA-N
MW367.43 g/mol
LogP1.93
Rot. Bonds6

About N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-cyanophenyl)-1H-pyrrole-2-carboxamide

N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-cyanophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 168509938) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-cyanophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-cyanophenyl)-1H-pyrrole-2-carboxamide
PubChem CID168509938
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-cyanophenyl)-1H-pyrrole-2-carboxamide
SMILESN#Cc1ccc(-c2ccc(C(=O)N[C@H](CN)c3nc(CO)cs3)[nH]2)cc1
InChIInChI=1S/C18H17N5O2S/c19-7-11-1-3-12(4-2-11)14-5-6-15(22-14)17(25)23-16(8-20)18-21-13(9-24)10-26-18/h1-6,10,16,22,24H,8-9,20H2,(H,23,25)/t16-/m1/s1
InChIKeyVMKFFJDLKSXFGN-MRXNPFEDSA-N
XLogP1.93
TPSA127.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-cyanophenyl)-1H-pyrrole-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-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-cyanophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-cyanophenyl)-1H-pyrrole-2-carboxamide (CID 168509938) is N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-cyanophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-cyanophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-cyanophenyl)-1H-pyrrole-2-carboxamide is N#Cc1ccc(-c2ccc(C(=O)N[C@H](CN)c3nc(CO)cs3)[nH]2)cc1.
What is the InChIKey of N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-cyanophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is VMKFFJDLKSXFGN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17N5O2S/c19-7-11-1-3-12(4-2-11)14-5-6-15(22-14)17(25)23-16(8-20)18-21-13(9-24)10-26-18/h1-6,10,16,22,24H,8-9,20H2,(H,23,25)/t16-/m1/s1.
What are the key properties of N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-cyanophenyl)-1H-pyrrole-2-carboxamide?
N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-cyanophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]ethyl]-5-(4-cyanophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 168509938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).