N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride

C12H19Cl2N3OS — CID 119897337

IUPACN-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1nc(C2CC2)cs1)C1CCCN1
InChIInChI=1S/C12H17N3OS.2ClH/c16-12(9-2-1-5-13-9)14-6-11-15-10(7-17-11)8-3-4-8;;/h7-9,13H,1-6H2,(H,14,16);2*1H
InChIKeyHKQPMTUWFQBPAV-UHFFFAOYSA-N
MW324.28 g/mol
LogP2.23
Rot. Bonds4

About N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride

N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119897337) has the molecular formula C12H19Cl2N3OS and a molecular weight of 324.28 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119897337
Molecular FormulaC12H19Cl2N3OS
Molecular Weight324.28 g/mol
Exact Mass323.06
IUPAC NameN-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1nc(C2CC2)cs1)C1CCCN1
InChIInChI=1S/C12H17N3OS.2ClH/c16-12(9-2-1-5-13-9)14-6-11-15-10(7-17-11)8-3-4-8;;/h7-9,13H,1-6H2,(H,14,16);2*1H
InChIKeyHKQPMTUWFQBPAV-UHFFFAOYSA-N
XLogP2.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081747
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119839231
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119897347
methyl 2-[(pyrrolidine-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylate
CID 110461420
(2R)-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 103795480
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016376
N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 61285801
(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide
CID 103808102
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119344857
(2R)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 103814867
(2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride
CID 120801327
4-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 104901151

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119897337) is N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1nc(C2CC2)cs1)C1CCCN1.
What is the InChIKey of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is HKQPMTUWFQBPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS.2ClH/c16-12(9-2-1-5-13-9)14-6-11-15-10(7-17-11)8-3-4-8;;/h7-9,13H,1-6H2,(H,14,16);2*1H.
What are the key properties of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 324.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119897337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).