4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride

C14H18ClN5O2S — CID 119277924

IUPAC4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc(-c2csc(NC(=O)C3(N)CCCC3)n2)c[nH]1
InChIInChI=1S/C14H17N5O2S.ClH/c15-11(20)9-5-8(6-17-9)10-7-22-13(18-10)19-12(21)14(16)3-1-2-4-14;/h5-7,17H,1-4,16H2,(H2,15,20)(H,18,19,21);1H
InChIKeyOHGNXWLEWFIDKK-UHFFFAOYSA-N
MW355.85 g/mol
LogP1.87
Rot. Bonds4

About 4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride

4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 119277924) has the molecular formula C14H18ClN5O2S and a molecular weight of 355.85 g/mol. Its IUPAC name is 4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID119277924
Molecular FormulaC14H18ClN5O2S
Molecular Weight355.85 g/mol
Exact Mass355.09
IUPAC Name4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cc(-c2csc(NC(=O)C3(N)CCCC3)n2)c[nH]1
InChIInChI=1S/C14H17N5O2S.ClH/c15-11(20)9-5-8(6-17-9)10-7-22-13(18-10)19-12(21)14(16)3-1-2-4-14;/h5-7,17H,1-4,16H2,(H2,15,20)(H,18,19,21);1H
InChIKeyOHGNXWLEWFIDKK-UHFFFAOYSA-N
XLogP1.87
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride 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

methyl 4-[2-[(1-aminocyclopropanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 119702148
4-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 37139611
1-amino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119266416
1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119264950
1-amino-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119264941
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 46603699
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
4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 120984867
1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119271809
4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 38151212
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride (CID 119277924) is 4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride is Cl.NC(=O)c1cc(-c2csc(NC(=O)C3(N)CCCC3)n2)c[nH]1.
What is the InChIKey of 4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is OHGNXWLEWFIDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S.ClH/c15-11(20)9-5-8(6-17-9)10-7-22-13(18-10)19-12(21)14(16)3-1-2-4-14;/h5-7,17H,1-4,16H2,(H2,15,20)(H,18,19,21);1H.
What are the key properties of 4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride?
4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 355.85 g/mol, XLogP of 1.87, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119277924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).