4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide

C21H23N3OS — CID 92707101

IUPAC4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(-n2cccc2)sc1C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C21H23N3OS/c1-2-8-18-19(26-21(23-18)24-13-5-6-14-24)20(25)22-17-12-7-10-15-9-3-4-11-16(15)17/h3-6,9,11,13-14,17H,2,7-8,10,12H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyDHGURSFNKRFJHG-QGZVFWFLSA-N
MW365.50 g/mol
LogP4.69
Rot. Bonds5

About 4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide

4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 92707101) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID92707101
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(-n2cccc2)sc1C(=O)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C21H23N3OS/c1-2-8-18-19(26-21(23-18)24-13-5-6-14-24)20(25)22-17-12-7-10-15-9-3-4-11-16(15)17/h3-6,9,11,13-14,17H,2,7-8,10,12H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyDHGURSFNKRFJHG-QGZVFWFLSA-N
XLogP4.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide
CID 22520847
4-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 40647285
4-methyl-2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 40647286
1-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-3-carboxamide
CID 35324690
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
4-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 7668917
2-ethylsulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 8777527
3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 131898012
1-(5-oxo-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 92716631
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532
4-amino-1-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-5-carboxamide
CID 65359155
5-ethyl-2-methyl-1-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxamide
CID 143277469

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide (CID 92707101) is 4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide is CCCc1nc(-n2cccc2)sc1C(=O)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is DHGURSFNKRFJHG-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-2-8-18-19(26-21(23-18)24-13-5-6-14-24)20(25)22-17-12-7-10-15-9-3-4-11-16(15)17/h3-6,9,11,13-14,17H,2,7-8,10,12H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of 4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide?
4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-pyrrol-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 92707101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).