4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride

C17H22ClN5O2S — CID 119702123

IUPAC4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc(-c2csc(NC(=O)CC3CC4CCC(C3)N4)n2)c[nH]1
InChIInChI=1S/C17H21N5O2S.ClH/c18-16(24)13-6-10(7-19-13)14-8-25-17(21-14)22-15(23)5-9-3-11-1-2-12(4-9)20-11;/h6-9,11-12,19-20H,1-5H2,(H2,18,24)(H,21,22,23);1H
InChIKeyAMNYJWWPMRLVBU-UHFFFAOYSA-N
MW395.92 g/mol
LogP2.52
Rot. Bonds5

About 4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride

4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 119702123) has the molecular formula C17H22ClN5O2S and a molecular weight of 395.92 g/mol. Its IUPAC name is 4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID119702123
Molecular FormulaC17H22ClN5O2S
Molecular Weight395.92 g/mol
Exact Mass395.12
IUPAC Name4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc(-c2csc(NC(=O)CC3CC4CCC(C3)N4)n2)c[nH]1
InChIInChI=1S/C17H21N5O2S.ClH/c18-16(24)13-6-10(7-19-13)14-8-25-17(21-14)22-15(23)5-9-3-11-1-2-12(4-9)20-11;/h6-9,11-12,19-20H,1-5H2,(H2,18,24)(H,21,22,23);1H
InChIKeyAMNYJWWPMRLVBU-UHFFFAOYSA-N
XLogP2.52
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.92
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 119677139
4-[2-[[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 98785729
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 119676911
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 119684423
4-[2-[(2-methylsulfanylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47152417
N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79615397
4-[2-(3-piperidin-4-ylbutanoylamino)-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 119702128
4-[2-[[2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 97185195
4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 120984867
4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride
CID 119277924
4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47019644
4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 38151893

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride (CID 119702123) is 4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride is Cl.NC(=O)c1cc(-c2csc(NC(=O)CC3CC4CCC(C3)N4)n2)c[nH]1.
What is the InChIKey of 4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is AMNYJWWPMRLVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S.ClH/c18-16(24)13-6-10(7-19-13)14-8-25-17(21-14)22-15(23)5-9-3-11-1-2-12(4-9)20-11;/h6-9,11-12,19-20H,1-5H2,(H2,18,24)(H,21,22,23);1H.
What are the key properties of 4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride?
4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 395.92 g/mol, XLogP of 2.52, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119702123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).