4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

C18H23N5O2S — CID 120984867

IUPAC4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(-c2csc(NC(=O)C3CC4CCCC(C3)C4N)n2)c[nH]1
InChIInChI=1S/C18H23N5O2S/c19-15-9-2-1-3-10(15)5-11(4-9)17(25)23-18-22-14(8-26-18)12-6-13(16(20)24)21-7-12/h6-11,15,21H,1-5,19H2,(H2,20,24)(H,22,23,25)
InChIKeyVGALDDVIYVDVTH-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.33
Rot. Bonds4

About 4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 120984867) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID120984867
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(-c2csc(NC(=O)C3CC4CCCC(C3)C4N)n2)c[nH]1
InChIInChI=1S/C18H23N5O2S/c19-15-9-2-1-3-10(15)5-11(4-9)17(25)23-18-22-14(8-26-18)12-6-13(16(20)24)21-7-12/h6-11,15,21H,1-5,19H2,(H2,20,24)(H,22,23,25)
InChIKeyVGALDDVIYVDVTH-UHFFFAOYSA-N
XLogP2.33
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556991
methyl 4-[2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 119702158
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
9-amino-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984385
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
4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride
CID 119277924
(2S)-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 167814774
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 46411411
4-[2-[(2-methylsulfanylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47152417
4-[2-[(3,5-dichlorobenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 46539593
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 46603699
4-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 37139611

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (CID 120984867) is 4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is NC(=O)c1cc(-c2csc(NC(=O)C3CC4CCCC(C3)C4N)n2)c[nH]1.
What is the InChIKey of 4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is VGALDDVIYVDVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c19-15-9-2-1-3-10(15)5-11(4-9)17(25)23-18-22-14(8-26-18)12-6-13(16(20)24)21-7-12/h6-11,15,21H,1-5,19H2,(H2,20,24)(H,22,23,25).
What are the key properties of 4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.33, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 120984867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).